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

Systemtic Name: methyl (E,4S,5S)-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]hept-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-5-14(2)16(11-12-17(20)22-4)19(3)18(21)23-13-15-9-7-6-8-10-15/h6-12,14,16H,5,13H2,1-4H3/b12-11+/t14-,16+/m0/s1