ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)pyrrole-3-carboxylate Openeye Name: ethyl 4-(benzyloxycarbonylamino)-1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate CAS Name: 1,2-dimethyl-5-(4-methyl-1-piperazinyl)-4-(phenylmethoxycarbonylamino)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)pyrrole-3-carboxylate Traditional Name: 4-(benzyloxycarbonylamino)-1,2-dimethyl-5-(4-methylpiperazino)pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1NC(=O)OCC2=CC=CC=C2)N3CCN(CC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1NC(=O)OCC2=CC=CC=C2)N3CCN(CC3)C)C)C

InChI

InChI=1S/C22H30N4O4/c1-5-29-21(27)18-16(2)25(4)20(26-13-11-24(3)12-14-26)19(18)23-22(28)30-15-17-9-7-6-8-10-17/h6-10H,5,11-15H2,1-4H3,(H,23,28)