methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-naphthalen-2-yl-propanoate

Systemtic Name: methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-naphthalen-2-yl-propanoate Openeye Name: methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-(2-naphthyl)propanoate CAS Name: 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-(2-naphthalenyl)propanoic acid methyl ester IUPAC Name: methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-naphthalen-2-ylpropanoate Traditional Name: 2-(3-amidinobenzyl)-3-benzamido-3-(2-naphthyl)propionic acid methyl ester Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27N3O3/c1-35-29(34)25(17-19-8-7-13-24(16-19)27(30)31)26(32-28(33)21-10-3-2-4-11-21)23-15-14-20-9-5-6-12-22(20)18-23/h2-16,18,25-26H,17H2,1H3,(H3,30,31)(H,32,33)