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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-methyl-indol-3-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-methyl-indol-3-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-methyl-3-indolyl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-methylindol-3-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-methyl-indol-3-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=C(C=C1)CC2=CN(C3=C2C=CC(=C3)C(=N)N)C)C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CNC(=O)C1=CC(=C(C=C1)CC2=CN(C3=C2C=CC(=C3)C(=N)N)C)C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H26N4O4/c1-30-26(32)17-5-4-15(22(11-17)21-9-7-19(35-3)13-23(21)27(33)34)10-18-14-31(2)24-12-16(25(28)29)6-8-20(18)24/h4-9,11-14H,10H2,1-3H3,(H3,28,29)(H,30,32)(H,33,34)