tert-butyl (E,4S,5S)-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]hept-2-enoate

Systemtic Name: tert-butyl (E,4S,5S)-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]hept-2-enoate Openeye Name: tert-butyl (E,4S,5S)-4-[benzyloxycarbonyl(methyl)amino]-5-methyl-hept-2-enoate CAS Name: (E,4S,5S)-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]-2-heptenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,4S,5S)-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]hept-2-enoate Traditional Name: (E,4S,5S)-4-[carbobenzoxy(methyl)amino]-5-methyl-hept-2-enoic acid tert-butyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=CC(=O)OC(C)(C)C)N(C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](/C=C/C(=O)OC(C)(C)C)N(C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31NO4/c1-7-16(2)18(13-14-19(23)26-21(3,4)5)22(6)20(24)25-15-17-11-9-8-10-12-17/h8-14,16,18H,7,15H2,1-6H3/b14-13+/t16-,18+/m0/s1