methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-methyl-4-oxidanylidene-octanoate

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-methyl-4-oxidanylidene-octanoate Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-methyl-4-oxo-octanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-methyl-4-oxooctanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-methyl-4-oxooctanoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]amino]-4-keto-2-methyl-caprylic acid methyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC(C)(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N

Isomeric SMILES

CCCCC(=O)CC(C)(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N

InChI

InChI=1S/C24H28N2O3/c1-4-5-9-21(27)15-24(2,23(28)29-3)26-17-18-11-13-19(14-12-18)22-10-7-6-8-20(22)16-25/h6-8,10-14,26H,4-5,9,15,17H2,1-3H3