ethyl 2-azanyl-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-amino-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-pyrrole-3-carboxylate CAS Name: 2-amino-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(1,3-benzodioxol-5-yl)-4,4-diphenylpyrrole-3-carboxylate Traditional Name: 2-amino-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C26H22N2O4/c1-2-30-25(29)22-24(27)28-23(17-13-14-20-21(15-17)32-16-31-20)26(22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,2,16,27H2,1H3