[2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[(4,5-dimethoxy-2-methyl-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)OC)OC

InChI

InChI=1S/C24H26N2O5/c1-17-13-21(29-3)22(30-4)14-19(17)15-25(2)23(27)16-31-24(28)18-7-9-20(10-8-18)26-11-5-6-12-26/h5-14H,15-16H2,1-4H3