(3-butan-2-yloxy-3-oxidanylidene-propyl) (Z)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: (3-butan-2-yloxy-3-oxidanylidene-propyl) (Z)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: (3-oxo-3-sec-butoxy-propyl) (Z)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (Z)-2-cyano-3-(4-methylphenyl)-2-propenoic acid (3-butan-2-yloxy-3-oxopropyl) ester IUPAC Name: (3-butan-2-yloxy-3-oxopropyl) (Z)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (Z)-2-cyano-3-(p-tolyl)acrylic acid (3-keto-3-sec-butoxy-propyl) ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CCOC(=O)C(=CC1=CC=C(C=C1)C)C#N

Isomeric SMILES

CCC(C)OC(=O)CCOC(=O)/C(=C\C1=CC=C(C=C1)C)/C#N

InChI

InChI=1S/C18H21NO4/c1-4-14(3)23-17(20)9-10-22-18(21)16(12-19)11-15-7-5-13(2)6-8-15/h5-8,11,14H,4,9-10H2,1-3H3/b16-11-