3-(4-methoxyphenyl)propyl 2-but-3-ynyl-7-methoxy-5-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]-1-benzofuran-3-carboxylate

Systemtic Name: 3-(4-methoxyphenyl)propyl 2-but-3-ynyl-7-methoxy-5-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]-1-benzofuran-3-carboxylate Openeye Name: 3-(4-methoxyphenyl)propyl 2-but-3-ynyl-5-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-oxo-propyl]-7-methoxy-benzofuran-3-carboxylate CAS Name: 2-but-3-ynyl-5-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-7-methoxy-3-benzofurancarboxylic acid 3-(4-methoxyphenyl)propyl ester IUPAC Name: 3-(4-methoxyphenyl)propyl 2-but-3-ynyl-5-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-7-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-but-3-ynyl-5-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-keto-propyl]-7-methoxy-benzofuran-3-carboxylic acid 3-(4-methoxyphenyl)propyl ester Formula: C35H45NO7 MolecularWeight: 591.7343

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NC(=O)CCC1=CC(=C2C(=C1)C(=C(O2)CCC#C)C(=O)OCCCC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC(CCCC(C)(C)O)NC(=O)CCC1=CC(=C2C(=C1)C(=C(O2)CCC#C)C(=O)OCCCC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C35H45NO7/c1-7-8-13-29-32(34(38)42-21-10-12-25-14-17-27(40-5)18-15-25)28-22-26(23-30(41-6)33(28)43-29)16-19-31(37)36-24(2)11-9-20-35(3,4)39/h1,14-15,17-18,22-24,39H,8-13,16,19-21H2,2-6H3,(H,36,37)