2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(phenylmethyl)carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(phenylmethyl)carbamoyl]phenyl]benzoic acid Openeye Name: 2-[5-(benzylcarbamoyl)-2-[(5-carbamimidoylindolin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[oxo-[(phenylmethyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[5-(benzylcarbamoyl)-2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(benzylcarbamoyl)phenyl]benzoic acid Formula: C31H28N4O3 MolecularWeight: 504.57902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C31H28N4O3/c32-29(33)22-12-13-28-21(16-22)14-15-35(28)19-24-11-10-23(30(36)34-18-20-6-2-1-3-7-20)17-27(24)25-8-4-5-9-26(25)31(37)38/h1-13,16-17H,14-15,18-19H2,(H3,32,33)(H,34,36)(H,37,38)