(phenylmethyl) 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-propoxy-benzoate

Systemtic Name: (phenylmethyl) 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-propoxy-benzoate Openeye Name: benzyl 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-naphthyl]-5-propoxy-benzoate CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-naphthalenyl]-5-propoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-propoxybenzoate Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-2-naphthyl]-5-propoxy-benzoic acid benzyl ester Formula: C35H31N3O4 MolecularWeight: 557.63834

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H31N3O4/c1-2-18-41-28-16-17-29(32(21-28)35(40)42-22-23-8-4-3-5-9-23)30-19-25-10-6-7-11-26(25)20-31(30)34(39)38-27-14-12-24(13-15-27)33(36)37/h3-17,19-21H,2,18,22H2,1H3,(H3,36,37)(H,38,39)