2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethyl-phenyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethyl-phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethyl-phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethylphenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethylphenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-ethyl-phenyl]benzoic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H21N3O3/c1-2-14-7-12-18(17-5-3-4-6-19(17)23(28)29)20(13-14)22(27)26-16-10-8-15(9-11-16)21(24)25/h3-13H,2H2,1H3,(H3,24,25)(H,26,27)(H,28,29)