2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-naphthyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-naphthalenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-2-naphthyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C30H28N4O4 MolecularWeight: 508.56772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C30H28N4O4/c1-17(2)16-33-28(35)21-9-12-23(26(15-21)30(37)38)24-13-19-5-3-4-6-20(19)14-25(24)29(36)34-22-10-7-18(8-11-22)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)