methyl 3-[4-aminocarbonyl-1-[(3-chlorophenyl)methyl]-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-[(3-chlorophenyl)methyl]-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-3-(4-dimethylaminophenyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-3-(4-dimethylaminophenyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-1-(3-chlorobenzyl)-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)CCC(=O)OC)C3=CC=C(C=C3)N(C)C)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)CCC(=O)OC)C3=CC=C(C=C3)N(C)C)C(=O)N

InChI

InChI=1S/C25H28ClN3O3/c1-16-23(25(27)31)24(18-8-10-20(11-9-18)28(2)3)21(12-13-22(30)32-4)29(16)15-17-6-5-7-19(26)14-17/h5-11,14H,12-13,15H2,1-4H3,(H2,27,31)