naphthalen-1-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: naphthalen-1-ylmethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1-naphthylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid 1-naphthylmethyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H31NO3/c1-18(2)24(28-25(29)20-13-15-22(16-14-20)27(3,4)5)26(30)31-17-21-11-8-10-19-9-6-7-12-23(19)21/h6-16,18,24H,17H2,1-5H3,(H,28,29)/t24-/m0/s1