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

Systemtic Name: ethyl (E,4S)-4-[[(E)-4-oxidanylidenepent-2-enoyl]-(phenylmethyl)amino]-5-phenyl-pent-2-enoate Openeye Name: ethyl (E,4S)-4-[benzyl-[(E)-4-oxopent-2-enoyl]amino]-5-phenyl-pent-2-enoate CAS Name: (E,4S)-4-[[(E)-1,4-dioxopent-2-enyl]-(phenylmethyl)amino]-5-phenyl-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[benzyl-[(E)-4-oxopent-2-enoyl]amino]-5-phenylpent-2-enoate Traditional Name: (E,4S)-4-[benzyl-[(E)-4-ketopent-2-enoyl]amino]-5-phenyl-pent-2-enoic acid ethyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)C=CC(=O)C

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)/C=C/C(=O)C

InChI

InChI=1S/C25H27NO4/c1-3-30-25(29)17-15-23(18-21-10-6-4-7-11-21)26(24(28)16-14-20(2)27)19-22-12-8-5-9-13-22/h4-17,23H,3,18-19H2,1-2H3/b16-14+,17-15+/t23-/m1/s1