methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]-4-methyl-hexanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]-4-methyl-hexanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]-4-methyl-hexanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[4-(3-ethylphenyl)phenyl]-oxomethyl]amino]-4-methylhexanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]-4-methylhexanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(3-ethylphenyl)benzoyl]amino]-4-methyl-hexanoic acid methyl ester Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O3/c1-5-21(3)29(28(31(35)36-4)19-23-10-7-11-24(17-23)20-32)33-30(34)26-15-13-25(14-16-26)27-12-8-9-22(6-2)18-27/h7-18,21,28-29H,5-6,19H2,1-4H3,(H,33,34)