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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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@@H](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/c1-3-23(18-7-5-4-6-8-18)26(30)28-22-12-11-19-13-14-29(24(19)16-22)17-21-10-9-20(27(31)32)15-25(21)33-2/h4-16,23H,3,17H2,1-2H3,(H,28,30)(H,31,32)/t23-/m0/s1