ethyl (E)-3-[4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hexan-2-yl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hexan-2-yl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]pentyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]hexan-2-yl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)hexan-2-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[1-carbamoyl-2-(2-piperidinophenyl)pentyl]phenyl]acrylic acid ethyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C=CC(=O)OCC)C(=O)N

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)/C=C/C(=O)OCC)C(=O)N

InChI

InChI=1S/C28H36N2O3/c1-3-10-24(23-11-6-7-12-25(23)30-19-8-5-9-20-30)27(28(29)32)22-16-13-21(14-17-22)15-18-26(31)33-4-2/h6-7,11-18,24,27H,3-5,8-10,19-20H2,1-2H3,(H2,29,32)/b18-15+