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

Systemtic Name: 2-ethoxy-4-[1-[[3-methyl-1-(2-piperidin-1-ylphenyl)but-3-enyl]amino]-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 2-ethoxy-4-[1-methyl-2-[[3-methyl-1-[2-(1-piperidyl)phenyl]but-3-enyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 2-ethoxy-4-[1-[[3-methyl-1-[2-(1-piperidinyl)phenyl]but-3-enyl]amino]-1-oxopropan-2-yl]benzoic acid IUPAC Name: 2-ethoxy-4-[1-[[3-methyl-1-(2-piperidin-1-ylphenyl)but-3-enyl]amino]-1-oxopropan-2-yl]benzoic acid Traditional Name: 2-ethoxy-4-[2-keto-1-methyl-2-[[3-methyl-1-(2-piperidinophenyl)but-3-enyl]amino]ethyl]benzoic acid Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O4/c1-5-34-26-18-21(13-14-23(26)28(32)33)20(4)27(31)29-24(17-19(2)3)22-11-7-8-12-25(22)30-15-9-6-10-16-30/h7-8,11-14,18,20,24H,2,5-6,9-10,15-17H2,1,3-4H3,(H,29,31)(H,32,33)