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

Systemtic Name: [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 2-[(4-cyclopropylphenyl)amino]-3-methyl-butanoate Openeye Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(4-cyclopropylanilino)-3-methyl-butanoate CAS Name: 2-(4-cyclopropylanilino)-3-methylbutanoic acid [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl ester IUPAC Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(4-cyclopropylanilino)-3-methylbutanoate Traditional Name: 2-(4-cyclopropylanilino)-3-methyl-butyric acid (3-benzyl-1H-pyrrol-2-yl)methyl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CN1)CC2=CC=CC=C2)NC3=CC=C(C=C3)C4CC4

Isomeric SMILES

CC(C)C(C(=O)OCC1=C(C=CN1)CC2=CC=CC=C2)NC3=CC=C(C=C3)C4CC4

InChI

InChI=1S/C26H30N2O2/c1-18(2)25(28-23-12-10-21(11-13-23)20-8-9-20)26(29)30-17-24-22(14-15-27-24)16-19-6-4-3-5-7-19/h3-7,10-15,18,20,25,27-28H,8-9,16-17H2,1-2H3