(1-oxidanylidene-1-phenylazanyl-butan-2-yl) (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: 1-(phenylcarbamoyl)propyl (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid 1-(phenylcarbamoyl)propyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C(=CC2=C(N(C(=C2)C)CC(C)C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)/C(=C/C2=C(N(C(=C2)C)CC(C)C)C)/C#N

InChI

InChI=1S/C24H29N3O3/c1-6-22(23(28)26-21-10-8-7-9-11-21)30-24(29)20(14-25)13-19-12-17(4)27(18(19)5)15-16(2)3/h7-13,16,22H,6,15H2,1-5H3,(H,26,28)/b20-13+