[3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 2-[(4-ethylphenyl)amino]-3-methyl-butanoate

Systemtic Name: [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 2-[(4-ethylphenyl)amino]-3-methyl-butanoate Openeye Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(4-ethylanilino)-3-methyl-butanoate CAS Name: 2-(4-ethylanilino)-3-methylbutanoic acid [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl ester IUPAC Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(4-ethylanilino)-3-methylbutanoate Traditional Name: 2-(4-ethylanilino)-3-methyl-butyric acid (3-benzyl-1H-pyrrol-2-yl)methyl ester Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(C(C)C)C(=O)OCC2=C(C=CN2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(C(C)C)C(=O)OCC2=C(C=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O2/c1-4-19-10-12-22(13-11-19)27-24(18(2)3)25(28)29-17-23-21(14-15-26-23)16-20-8-6-5-7-9-20/h5-15,18,24,26-27H,4,16-17H2,1-3H3