3-(4-methoxyphenyl)propyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-(5-oxidanylpent-1-ynyl)-2-(3-oxidanylpropyl)-1-benzofuran-3-carboxylate

Systemtic Name: 3-(4-methoxyphenyl)propyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-(5-oxidanylpent-1-ynyl)-2-(3-oxidanylpropyl)-1-benzofuran-3-carboxylate Openeye Name: 3-(4-methoxyphenyl)propyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxo-propyl]-7-(5-hydroxypent-1-ynyl)-2-(3-hydroxypropyl)benzofuran-3-carboxylate CAS Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-7-(5-hydroxypent-1-ynyl)-2-(3-hydroxypropyl)-3-benzofurancarboxylic acid 3-(4-methoxyphenyl)propyl ester IUPAC Name: 3-(4-methoxyphenyl)propyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-7-(5-hydroxypent-1-ynyl)-2-(3-hydroxypropyl)-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-keto-propyl]-7-(5-hydroxypent-1-ynyl)-2-(3-hydroxypropyl)benzofuran-3-carboxylic acid 3-(4-methoxyphenyl)propyl ester Formula: C34H42N2O9 MolecularWeight: 622.70528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC2=C(C(=C1)C#CCCCO)OC(=C2C(=O)OCCCC3=CC=C(C=C3)OC)CCCO)C(=O)NCCO

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC2=C(C(=C1)C#CCCCO)OC(=C2C(=O)OCCCC3=CC=C(C=C3)OC)CCCO)C(=O)NCCO

InChI

InChI=1S/C34H42N2O9/c1-23(40)36-29(33(41)35-15-18-39)22-25-20-26(9-4-3-5-16-37)32-28(21-25)31(30(45-32)10-6-17-38)34(42)44-19-7-8-24-11-13-27(43-2)14-12-24/h11-14,20-21,29,37-39H,3,5-8,10,15-19,22H2,1-2H3,(H,35,41)(H,36,40)/t29-/m0/s1