2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methoxy-1,1-dimethyl-2-oxo-ethyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(2-keto-2-methoxy-1,1-dimethyl-ethyl)carbamoyl]benzoic acid Formula: C27H26N4O6 MolecularWeight: 502.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C27H26N4O6/c1-27(2,26(36)37-3)31-23(32)16-10-13-19(21(14-16)25(34)35)18-6-4-5-7-20(18)24(33)30-17-11-8-15(9-12-17)22(28)29/h4-14H,1-3H3,(H3,28,29)(H,30,33)(H,31,32)(H,34,35)