4-azanyl-2-[2-benzamido-3-(1H-indol-3-yl)propanoyl]benzoic acid

Systemtic Name: 4-azanyl-2-[2-benzamido-3-(1H-indol-3-yl)propanoyl]benzoic acid Openeye Name: 4-amino-2-[2-benzamido-3-(1H-indol-3-yl)propanoyl]benzoic acid CAS Name: 4-amino-2-[2-benzamido-3-(1H-indol-3-yl)-1-oxopropyl]benzoic acid IUPAC Name: 4-amino-2-[2-benzamido-3-(1H-indol-3-yl)propanoyl]benzoic acid Traditional Name: 4-amino-2-[2-benzamido-3-(1H-indol-3-yl)propanoyl]benzoic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)N)C(=O)O

InChI

InChI=1S/C25H21N3O4/c26-17-10-11-19(25(31)32)20(13-17)23(29)22(28-24(30)15-6-2-1-3-7-15)12-16-14-27-21-9-5-4-8-18(16)21/h1-11,13-14,22,27H,12,26H2,(H,28,30)(H,31,32)