heptyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methyl-butanoate

Systemtic Name: heptyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methyl-butanoate Openeye Name: heptyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoic acid heptyl ester IUPAC Name: heptyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(2-cyanophenyl)benzyl]amino]-3-methyl-butyric acid heptyl ester Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCOC(=O)[C@H](C(C)C)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N

InChI

InChI=1S/C26H34N2O2/c1-4-5-6-7-10-17-30-26(29)25(20(2)3)28-19-21-13-15-22(16-14-21)24-12-9-8-11-23(24)18-27/h8-9,11-16,20,25,28H,4-7,10,17,19H2,1-3H3/t25-/m0/s1