ethyl (E,4S)-4-[[(3E)-hexa-3,5-dienoyl]-(phenylmethyl)amino]-2,5-dimethyl-hex-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(3E)-hexa-3,5-dienoyl]-(phenylmethyl)amino]-2,5-dimethyl-hex-2-enoate Openeye Name: ethyl (E,4S)-4-[benzyl-[(3E)-hexa-3,5-dienoyl]amino]-2,5-dimethyl-hex-2-enoate CAS Name: (E,4S)-2,5-dimethyl-4-[[(3E)-1-oxohexa-3,5-dienyl]-(phenylmethyl)amino]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[benzyl-[(3E)-hexa-3,5-dienoyl]amino]-2,5-dimethylhex-2-enoate Traditional Name: (E,4S)-4-[benzyl-[(3E)-hexa-3,5-dienoyl]amino]-2,5-dimethyl-hex-2-enoic acid ethyl ester Formula: C23H31NO3 MolecularWeight: 369.49714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(C(C)C)N(CC1=CC=CC=C1)C(=O)CC=CC=C)C

Isomeric SMILES

CCOC(=O)/C(=C/[C@H](C(C)C)N(CC1=CC=CC=C1)C(=O)C/C=C/C=C)/C

InChI

InChI=1S/C23H31NO3/c1-6-8-10-15-22(25)24(17-20-13-11-9-12-14-20)21(18(3)4)16-19(5)23(26)27-7-2/h6,8-14,16,18,21H,1,7,15,17H2,2-5H3/b10-8+,19-16+/t21-/m1/s1