methyl (E,4R,5R)-7-cyano-4,5-dimethyl-7-[(phenylmethyl)amino]hept-2-enoate

Systemtic Name: methyl (E,4R,5R)-7-cyano-4,5-dimethyl-7-[(phenylmethyl)amino]hept-2-enoate Openeye Name: methyl (E,4R,5R)-7-(benzylamino)-7-cyano-4,5-dimethyl-hept-2-enoate CAS Name: (E,4R,5R)-7-cyano-4,5-dimethyl-7-[(phenylmethyl)amino]-2-heptenoic acid methyl ester IUPAC Name: methyl (E,4R,5R)-7-(benzylamino)-7-cyano-4,5-dimethylhept-2-enoate Traditional Name: (E,4R,5R)-7-(benzylamino)-7-cyano-4,5-dimethyl-hept-2-enoic acid methyl ester Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C#N)NCC1=CC=CC=C1)C(C)C=CC(=O)OC

Isomeric SMILES

C[C@H](CC(C#N)NCC1=CC=CC=C1)[C@@H](C)/C=C/C(=O)OC

InChI

InChI=1S/C18H24N2O2/c1-14(9-10-18(21)22-3)15(2)11-17(12-19)20-13-16-7-5-4-6-8-16/h4-10,14-15,17,20H,11,13H2,1-3H3/b10-9+/t14-,15+,17?/m0/s1