4-(dimethylaminomethyl)-3-[(E)-(3-oxidanylcyclohex-2-en-1-ylidene)-phenyl-methyl]benzoic acid

Systemtic Name: 4-(dimethylaminomethyl)-3-[(E)-(3-oxidanylcyclohex-2-en-1-ylidene)-phenyl-methyl]benzoic acid Openeye Name: 4-(dimethylaminomethyl)-3-[(E)-(3-hydroxycyclohex-2-en-1-ylidene)-phenyl-methyl]benzoic acid CAS Name: 4-(dimethylaminomethyl)-3-[(E)-(3-hydroxy-1-cyclohex-2-enylidene)-phenylmethyl]benzoic acid IUPAC Name: 4-(dimethylaminomethyl)-3-[(E)-(3-hydroxycyclohex-2-en-1-ylidene)-phenylmethyl]benzoic acid Traditional Name: 4-(dimethylaminomethyl)-3-[(E)-(3-hydroxycyclohex-2-en-1-ylidene)-phenyl-methyl]benzoic acid Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=C(C=C1)C(=O)O)C(=C2CCCC(=C2)O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=C(C=C(C=C1)C(=O)O)/C(=C/2\CCCC(=C2)O)/C3=CC=CC=C3

InChI

InChI=1S/C23H25NO3/c1-24(2)15-19-12-11-18(23(26)27)14-21(19)22(16-7-4-3-5-8-16)17-9-6-10-20(25)13-17/h3-5,7-8,11-14,25H,6,9-10,15H2,1-2H3,(H,26,27)/b22-17+