5-[8-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]cyclohex-2-ene-1-carboxylic acid

Systemtic Name: 5-[8-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]cyclohex-2-ene-1-carboxylic acid Openeye Name: 5-[8-[(4-carbamimidoylphenyl)carbamoyl]-2-naphthyl]cyclohex-2-ene-1-carboxylic acid CAS Name: 5-[8-[(4-carbamimidoylanilino)-oxomethyl]-2-naphthalenyl]-1-cyclohex-2-enecarboxylic acid IUPAC Name: 5-[8-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]cyclohex-2-ene-1-carboxylic acid Traditional Name: 5-[8-[(4-amidinophenyl)carbamoyl]-2-naphthyl]cyclohex-2-ene-1-carboxylic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(CC1C2=CC3=C(C=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C=C2)C(=O)O

Isomeric SMILES

C1C=CC(CC1C2=CC3=C(C=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C=C2)C(=O)O

InChI

InChI=1S/C25H23N3O3/c26-23(27)16-9-11-20(12-10-16)28-24(29)21-6-2-3-15-7-8-18(14-22(15)21)17-4-1-5-19(13-17)25(30)31/h1-3,5-12,14,17,19H,4,13H2,(H3,26,27)(H,28,29)(H,30,31)