methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]pentanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]pentanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]pentanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[4-(3-ethylphenyl)phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]pentanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[4-(3-ethylphenyl)benzoyl]amino]valeric acid methyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3=CC=CC(=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3=CC=CC(=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C29H33N3O3/c1-4-19-8-6-10-23(16-19)21-12-14-22(15-13-21)28(33)32-26(5-2)25(29(34)35-3)18-20-9-7-11-24(17-20)27(30)31/h6-17,25-26H,4-5,18H2,1-3H3,(H3,30,31)(H,32,33)