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

Systemtic Name: 2-ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)but-3-enyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-ethoxy-4-[2-[[3-methyl-1-[2-(1-piperidyl)phenyl]but-3-enyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 2-ethoxy-4-[2-[[3-methyl-1-[2-(1-piperidinyl)phenyl]but-3-enyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 2-ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)but-3-enyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 2-ethoxy-4-[2-keto-2-[[3-methyl-1-(2-piperidinophenyl)but-3-enyl]amino]ethyl]benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,23H,2,4-5,8-9,14-16,18H2,1,3H3,(H,28,30)(H,31,32)