methyl 6-[(3-isocyano-2-oxidanyl-propyl)-(phenylmethyl)amino]-2-methyl-hexanoate

Systemtic Name: methyl 6-[(3-isocyano-2-oxidanyl-propyl)-(phenylmethyl)amino]-2-methyl-hexanoate Openeye Name: methyl 6-[benzyl-(2-hydroxy-3-isocyano-propyl)amino]-2-methyl-hexanoate CAS Name: 6-[(2-hydroxy-3-isocyanopropyl)-(phenylmethyl)amino]-2-methylhexanoic acid methyl ester IUPAC Name: methyl 6-[benzyl-(2-hydroxy-3-isocyanopropyl)amino]-2-methylhexanoate Traditional Name: 6-[benzyl-(2-hydroxy-3-isocyano-propyl)amino]-2-methyl-hexanoic acid methyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN(CC1=CC=CC=C1)CC(C[N+]#[C-])O)C(=O)OC

Isomeric SMILES

CC(CCCCN(CC1=CC=CC=C1)CC(C[N+]#[C-])O)C(=O)OC

InChI

InChI=1S/C19H28N2O3/c1-16(19(23)24-3)9-7-8-12-21(15-18(22)13-20-2)14-17-10-5-4-6-11-17/h4-6,10-11,16,18,22H,7-9,12-15H2,1,3H3