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

Systemtic Name: 2-[3-[[(4-carbamimidoylphenyl)amino]methyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylanilino)methyl]-2-naphthyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)methyl]-2-naphthalenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylanilino)methyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[3-[(4-amidinoanilino)methyl]-2-naphthyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C30H30N4O3 MolecularWeight: 494.5842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2CNC4=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=C2CNC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C30H30N4O3/c1-18(2)16-34-29(35)22-9-12-25(27(15-22)30(36)37)26-14-21-6-4-3-5-20(21)13-23(26)17-33-24-10-7-19(8-11-24)28(31)32/h3-15,18,33H,16-17H2,1-2H3,(H3,31,32)(H,34,35)(H,36,37)