methyl 3-(dimethylaminomethylideneamino)-4-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-(dimethylaminomethylideneamino)-4-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[(3-benzyloxyphenyl)methyl]-3-(dimethylaminomethyleneamino)-1H-pyrrole-2-carboxylate CAS Name: 3-(dimethylaminomethylideneamino)-4-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(dimethylaminomethylideneamino)-4-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-benzoxybenzyl)-3-(dimethylaminomethyleneamino)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=C(NC=C1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN(C)C=NC1=C(NC=C1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O3/c1-26(2)16-25-21-19(14-24-22(21)23(27)28-3)12-18-10-7-11-20(13-18)29-15-17-8-5-4-6-9-17/h4-11,13-14,16,24H,12,15H2,1-3H3