2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-[(phenylmethyl)carbamoyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-[(phenylmethyl)carbamoyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[5-(benzylcarbamoyl)-2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[oxo-[(phenylmethyl)amino]methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[5-(benzylcarbamoyl)-2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(benzylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C34H32N4O4 MolecularWeight: 560.64228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)C5=C(C=C(C=C5)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)C5=C(C=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C34H32N4O4/c1-3-38-20-25(27-13-11-23(32(35)36)17-31(27)38)15-22-9-10-24(33(39)37-19-21-7-5-4-6-8-21)16-29(22)28-14-12-26(42-2)18-30(28)34(40)41/h4-14,16-18,20H,3,15,19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)