3-methoxy-4-[[6-[(2-methyl-2-phenyl-propanoyl)amino]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-[(2-methyl-2-phenyl-propanoyl)amino]indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-[(2-methyl-2-phenyl-propanoyl)amino]indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[(2-methyl-1-oxo-2-phenylpropyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-[(2-methyl-2-phenylpropanoyl)amino]indol-1-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[6-[(2-methyl-2-phenyl-propanoyl)amino]indol-1-yl]methyl]benzoic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C27H26N2O4/c1-27(2,21-7-5-4-6-8-21)26(32)28-22-12-11-18-13-14-29(23(18)16-22)17-20-10-9-19(25(30)31)15-24(20)33-3/h4-16H,17H2,1-3H3,(H,28,32)(H,30,31)