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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(N(C=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)C(=O)NC1=C(N(C=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H32N2O5/c1-6-18(3)26(30)28-24-21(20-13-14-22(32-4)23(15-20)33-5)17-29(25(24)27(31)34-7-2)16-19-11-9-8-10-12-19/h8-15,17-18H,6-7,16H2,1-5H3,(H,28,30)