4-[4-[3-[2-dimethylaminoethyl(methyl)amino]-3-oxidanylidene-propyl]-2-methoxy-phenyl]benzoic acid

Systemtic Name: 4-[4-[3-[2-dimethylaminoethyl(methyl)amino]-3-oxidanylidene-propyl]-2-methoxy-phenyl]benzoic acid Openeye Name: 4-[4-[3-[2-dimethylaminoethyl(methyl)amino]-3-oxo-propyl]-2-methoxy-phenyl]benzoic acid CAS Name: 4-[4-[3-[2-dimethylaminoethyl(methyl)amino]-3-oxopropyl]-2-methoxyphenyl]benzoic acid IUPAC Name: 4-[4-[3-[2-dimethylaminoethyl(methyl)amino]-3-oxopropyl]-2-methoxyphenyl]benzoic acid Traditional Name: 4-[4-[3-[2-dimethylaminoethyl(methyl)amino]-3-keto-propyl]-2-methoxy-phenyl]benzoic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)C(=O)CCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CN(C)CCN(C)C(=O)CCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C22H28N2O4/c1-23(2)13-14-24(3)21(25)12-6-16-5-11-19(20(15-16)28-4)17-7-9-18(10-8-17)22(26)27/h5,7-11,15H,6,12-14H2,1-4H3,(H,26,27)