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

Systemtic Name: methyl 6-[(3-chloranyl-2-oxidanyl-propyl)-(phenylmethyl)amino]-2-methyl-hexanoate Openeye Name: methyl 6-[benzyl-(3-chloro-2-hydroxy-propyl)amino]-2-methyl-hexanoate CAS Name: 6-[(3-chloro-2-hydroxypropyl)-(phenylmethyl)amino]-2-methylhexanoic acid methyl ester IUPAC Name: methyl 6-[benzyl-(3-chloro-2-hydroxypropyl)amino]-2-methylhexanoate Traditional Name: 6-[benzyl-(3-chloro-2-hydroxy-propyl)amino]-2-methyl-hexanoic acid methyl ester Formula: C18H28ClNO3 MolecularWeight: 341.87282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN(CC1=CC=CC=C1)CC(CCl)O)C(=O)OC

Isomeric SMILES

CC(CCCCN(CC1=CC=CC=C1)CC(CCl)O)C(=O)OC

InChI

InChI=1S/C18H28ClNO3/c1-15(18(22)23-2)8-6-7-11-20(14-17(21)12-19)13-16-9-4-3-5-10-16/h3-5,9-10,15,17,21H,6-8,11-14H2,1-2H3