ethyl (E,4S)-2,5-dimethyl-4-[(phenylmethyl)amino]hex-2-enoate

Systemtic Name: ethyl (E,4S)-2,5-dimethyl-4-[(phenylmethyl)amino]hex-2-enoate Openeye Name: ethyl (E,4S)-4-(benzylamino)-2,5-dimethyl-hex-2-enoate CAS Name: (E,4S)-2,5-dimethyl-4-[(phenylmethyl)amino]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-(benzylamino)-2,5-dimethylhex-2-enoate Traditional Name: (E,4S)-4-(benzylamino)-2,5-dimethyl-hex-2-enoic acid ethyl ester Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(C(C)C)NCC1=CC=CC=C1)C

Isomeric SMILES

CCOC(=O)/C(=C/[C@H](C(C)C)NCC1=CC=CC=C1)/C

InChI

InChI=1S/C17H25NO2/c1-5-20-17(19)14(4)11-16(13(2)3)18-12-15-9-7-6-8-10-15/h6-11,13,16,18H,5,12H2,1-4H3/b14-11+/t16-/m1/s1