ethyl 4-(3,4-dimethoxyphenyl)-3-(3-methylbutanoylamino)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-3-(3-methylbutanoylamino)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-methylbutanoylamino)pyrrole-2-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-3-[(3-methyl-1-oxobutyl)amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-methylbutanoylamino)pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(isovalerylamino)pyrrole-2-carboxylic acid ethyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)NC(=O)CC(C)C

InChI

InChI=1S/C27H32N2O5/c1-6-34-27(31)26-25(28-24(30)14-18(2)3)21(17-29(26)16-19-10-8-7-9-11-19)20-12-13-22(32-4)23(15-20)33-5/h7-13,15,17-18H,6,14,16H2,1-5H3,(H,28,30)