3-methoxy-4-[[6-(4-phenylbutanoylamino)indol-1-yl]methyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-33-25-16-21(27(31)32)10-11-22(25)18-29-15-14-20-12-13-23(17-24(20)29)28-26(30)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-17H,5,8-9,18H2,1H3,(H,28,30)(H,31,32)