ethyl 2-ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)but-2-enyl]amino]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: ethyl 2-ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)but-2-enyl]amino]-2-oxidanylidene-ethyl]benzoate Openeye Name: ethyl 2-ethoxy-4-[2-[[3-methyl-1-[2-(1-piperidyl)phenyl]but-2-enyl]amino]-2-oxo-ethyl]benzoate CAS Name: 2-ethoxy-4-[2-[[3-methyl-1-[2-(1-piperidinyl)phenyl]but-2-enyl]amino]-2-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)but-2-enyl]amino]-2-oxoethyl]benzoate Traditional Name: 2-ethoxy-4-[2-keto-2-[[3-methyl-1-(2-piperidinophenyl)but-2-enyl]amino]ethyl]benzoic acid ethyl ester Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NC(C=C(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NC(C=C(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)OCC

InChI

InChI=1S/C29H38N2O4/c1-5-34-27-19-22(14-15-24(27)29(33)35-6-2)20-28(32)30-25(18-21(3)4)23-12-8-9-13-26(23)31-16-10-7-11-17-31/h8-9,12-15,18-19,25H,5-7,10-11,16-17,20H2,1-4H3,(H,30,32)