ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]benzoate

Systemtic Name: ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]benzoate Openeye Name: ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-pyridyl]benzoic acid ethyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C(N=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C(N=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H20N4O3/c1-2-29-22(28)18-7-4-3-6-16(18)17-8-5-13-25-19(17)21(27)26-15-11-9-14(10-12-15)20(23)24/h3-13H,2H2,1H3,(H3,23,24)(H,26,27)