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

Systemtic Name: ethyl (E,4S)-5-methyl-4-[[(E)-4-oxidanylidenepent-2-enoyl]-(phenylmethyl)amino]hex-2-enoate Openeye Name: ethyl (E,4S)-4-[benzyl-[(E)-4-oxopent-2-enoyl]amino]-5-methyl-hex-2-enoate CAS Name: (E,4S)-4-[[(E)-1,4-dioxopent-2-enyl]-(phenylmethyl)amino]-5-methyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[benzyl-[(E)-4-oxopent-2-enoyl]amino]-5-methylhex-2-enoate Traditional Name: (E,4S)-4-[benzyl-[(E)-4-ketopent-2-enoyl]amino]-5-methyl-hex-2-enoic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-5-26-21(25)14-12-19(16(2)3)22(20(24)13-11-17(4)23)15-18-9-7-6-8-10-18/h6-14,16,19H,5,15H2,1-4H3/b13-11+,14-12+/t19-/m1/s1