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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-propan-2-yl-phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-isopropyl-phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-propan-2-ylphenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-propan-2-ylphenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-isopropyl-phenyl]benzoic acid Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3/c1-14(2)16-9-12-19(18-5-3-4-6-20(18)24(29)30)21(13-16)23(28)27-17-10-7-15(8-11-17)22(25)26/h3-14H,1-2H3,(H3,25,26)(H,27,28)(H,29,30)