quinolin-8-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: quinolin-8-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 8-quinolylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid 8-quinolylmethyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H30N2O3/c1-17(2)22(28-24(29)19-11-13-21(14-12-19)26(3,4)5)25(30)31-16-20-9-6-8-18-10-7-15-27-23(18)20/h6-15,17,22H,16H2,1-5H3,(H,28,29)/t22-/m0/s1