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

Systemtic Name: [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 2-[(4-fluorophenyl)amino]-3-methyl-butanoate Openeye Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(4-fluoroanilino)-3-methyl-butanoate CAS Name: 2-(4-fluoroanilino)-3-methylbutanoic acid [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl ester IUPAC Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(4-fluoroanilino)-3-methylbutanoate Traditional Name: 2-(4-fluoroanilino)-3-methyl-butyric acid (3-benzyl-1H-pyrrol-2-yl)methyl ester Formula: C23H25FN2O2 MolecularWeight: 380.455203

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O2/c1-16(2)22(26-20-10-8-19(24)9-11-20)23(27)28-15-21-18(12-13-25-21)14-17-6-4-3-5-7-17/h3-13,16,22,25-26H,14-15H2,1-2H3