[4-[(E)-[3-(dimethylaminomethyl)-2-oxidanylidene-cyclopentylidene]methyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-[3-(dimethylaminomethyl)-2-oxidanylidene-cyclopentylidene]methyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-[3-(dimethylaminomethyl)-2-oxo-cyclopentylidene]methyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[3-(dimethylaminomethyl)-2-oxocyclopentylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[3-(dimethylaminomethyl)-2-oxocyclopentylidene]methyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-[3-(dimethylaminomethyl)-2-keto-cyclopentylidene]methyl]-2-methoxy-phenyl] ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCC(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C1=O

Isomeric SMILES

CN(C)CC1CC/C(=C\C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)/C1=O

InChI

InChI=1S/C23H25NO4/c1-24(2)15-19-11-10-18(22(19)25)13-16-9-12-20(21(14-16)27-3)28-23(26)17-7-5-4-6-8-17/h4-9,12-14,19H,10-11,15H2,1-3H3/b18-13+