methyl 4-[2-(2-hydroxyphenyl)carbonyl-3-[(phenylmethyl)amino]butyl]benzoate

Systemtic Name: methyl 4-[2-(2-hydroxyphenyl)carbonyl-3-[(phenylmethyl)amino]butyl]benzoate Openeye Name: methyl 4-[3-(benzylamino)-2-(2-hydroxybenzoyl)butyl]benzoate CAS Name: 4-[2-[(2-hydroxyphenyl)-oxomethyl]-3-[(phenylmethyl)amino]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(benzylamino)-2-(2-hydroxybenzoyl)butyl]benzoate Traditional Name: 4-[3-(benzylamino)-2-salicyloyl-butyl]benzoic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=CC=C2O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=CC=C2O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO4/c1-18(27-17-20-8-4-3-5-9-20)23(25(29)22-10-6-7-11-24(22)28)16-19-12-14-21(15-13-19)26(30)31-2/h3-15,18,23,27-28H,16-17H2,1-2H3