(phenylmethyl) 4-[(phenylmethyl)-(prop-2-enylcarbamoyl)amino]-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-[(phenylmethyl)-(prop-2-enylcarbamoyl)amino]-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-[allylcarbamoyl(benzyl)amino]-1H-pyrrole-2-carboxylate CAS Name: 4-[[oxo-(prop-2-enylamino)methyl]-(phenylmethyl)amino]-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[benzyl(prop-2-enylcarbamoyl)amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-[allylcarbamoyl(benzyl)amino]-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N(CC1=CC=CC=C1)C2=CNC(=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)N(CC1=CC=CC=C1)C2=CNC(=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3/c1-2-13-24-23(28)26(16-18-9-5-3-6-10-18)20-14-21(25-15-20)22(27)29-17-19-11-7-4-8-12-19/h2-12,14-15,25H,1,13,16-17H2,(H,24,28)