methyl 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-3-methyl-benzoate

Systemtic Name: methyl 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-3-methyl-benzoate Openeye Name: methyl 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-3-methyl-benzoate CAS Name: 2-[3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-1-pyrrolyl]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-3-methylbenzoate Traditional Name: 2-[3-[[4-(2-methoxyphenyl)piperazino]methyl]pyrrol-1-yl]-3-methyl-benzoic acid methyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N2C=CC(=C2)CN3CCN(CC3)C4=CC=CC=C4OC)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1N2C=CC(=C2)CN3CCN(CC3)C4=CC=CC=C4OC)C(=O)OC

InChI

InChI=1S/C25H29N3O3/c1-19-7-6-8-21(25(29)31-3)24(19)28-12-11-20(18-28)17-26-13-15-27(16-14-26)22-9-4-5-10-23(22)30-2/h4-12,18H,13-17H2,1-3H3