methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-(4-phenylphenyl)propanoate

Systemtic Name: methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-(4-phenylphenyl)propanoate Openeye Name: methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-(4-phenylphenyl)propanoate CAS Name: 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-(4-phenylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-3-(4-phenylphenyl)propanoate Traditional Name: 2-(3-amidinobenzyl)-3-benzamido-3-(4-phenylphenyl)propionic acid methyl ester Formula: C31H29N3O3 MolecularWeight: 491.58026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H29N3O3/c1-37-31(36)27(20-21-9-8-14-26(19-21)29(32)33)28(34-30(35)25-12-6-3-7-13-25)24-17-15-23(16-18-24)22-10-4-2-5-11-22/h2-19,27-28H,20H2,1H3,(H3,32,33)(H,34,35)