[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl] N-(pyridin-4-ylmethyl)carbamate

Systemtic Name: [(2S)-3-(4-hydroxyphenyl)-2-methyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl] N-(pyridin-4-ylmethyl)carbamate Openeye Name: [(1S)-1-[(4-hydroxyphenyl)methyl]-2-(isopentylamino)-1-methyl-2-oxo-ethyl] N-(4-pyridylmethyl)carbamate CAS Name: N-(pyridin-4-ylmethyl)carbamic acid [(2S)-3-(4-hydroxyphenyl)-2-methyl-1-(3-methylbutylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-3-(4-hydroxyphenyl)-2-methyl-1-(3-methylbutylamino)-1-oxopropan-2-yl] N-(pyridin-4-ylmethyl)carbamate Traditional Name: N-(4-pyridylmethyl)carbamic acid [(1S)-1-(4-hydroxybenzyl)-2-(isoamylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)(CC1=CC=C(C=C1)O)OC(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)CCNC(=O)[C@](C)(CC1=CC=C(C=C1)O)OC(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C22H29N3O4/c1-16(2)8-13-24-20(27)22(3,14-17-4-6-19(26)7-5-17)29-21(28)25-15-18-9-11-23-12-10-18/h4-7,9-12,16,26H,8,13-15H2,1-3H3,(H,24,27)(H,25,28)/t22-/m0/s1