2-[[cyclopropyl(methyl)amino]methyl]-4-[2-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]ethynyl]benzoic acid

Systemtic Name: 2-[[cyclopropyl(methyl)amino]methyl]-4-[2-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]ethynyl]benzoic acid Openeye Name: 2-[[cyclopropyl(methyl)amino]methyl]-4-[2-[4-(2-methoxy-2-oxo-ethyl)phenyl]ethynyl]benzoic acid CAS Name: 2-[[cyclopropyl(methyl)amino]methyl]-4-[2-[4-(2-methoxy-2-oxoethyl)phenyl]ethynyl]benzoic acid IUPAC Name: 2-[[cyclopropyl(methyl)amino]methyl]-4-[2-[4-(2-methoxy-2-oxoethyl)phenyl]ethynyl]benzoic acid Traditional Name: 2-[[cyclopropyl(methyl)amino]methyl]-4-[2-[4-(2-keto-2-methoxy-ethyl)phenyl]ethynyl]benzoic acid Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)CC(=O)OC)C(=O)O)C3CC3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)CC(=O)OC)C(=O)O)C3CC3

InChI

InChI=1S/C23H23NO4/c1-24(20-10-11-20)15-19-13-17(9-12-21(19)23(26)27)6-3-16-4-7-18(8-5-16)14-22(25)28-2/h4-5,7-9,12-13,20H,10-11,14-15H2,1-2H3,(H,26,27)