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

Systemtic Name: [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 2-[(4-tert-butylphenyl)amino]-3-methyl-butanoate Openeye Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(4-tert-butylanilino)-3-methyl-butanoate CAS Name: 2-(4-tert-butylanilino)-3-methylbutanoic acid [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl ester IUPAC Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(4-tert-butylanilino)-3-methylbutanoate Traditional Name: 2-(4-tert-butylanilino)-3-methyl-butyric acid (3-benzyl-1H-pyrrol-2-yl)methyl ester Formula: C27H34N2O2 MolecularWeight: 418.57106

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O2/c1-19(2)25(29-23-13-11-22(12-14-23)27(3,4)5)26(30)31-18-24-21(15-16-28-24)17-20-9-7-6-8-10-20/h6-16,19,25,28-29H,17-18H2,1-5H3