(phenylmethyl) N-[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(pentylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-(amylamino)-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O4/c1-2-3-7-14-23-21(26)20(15-17-10-12-19(25)13-11-17)24-22(27)28-16-18-8-5-4-6-9-18/h4-6,8-13,20,25H,2-3,7,14-16H2,1H3,(H,23,26)(H,24,27)/t20-/m0/s1