(phenylmethyl) 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-1-oxopropyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxypropanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C29H37NO6 MolecularWeight: 495.60718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C2=CC3=C(C=C2)OCO3)C(C4CCCCC4)O

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C2=CC3=C(C=C2)OCO3)C(C4CCCCC4)O

InChI

InChI=1S/C29H37NO6/c1-19(2)15-23(29(33)34-17-20-9-5-3-6-10-20)30-28(32)26(27(31)21-11-7-4-8-12-21)22-13-14-24-25(16-22)36-18-35-24/h3,5-6,9-10,13-14,16,19,21,23,26-27,31H,4,7-8,11-12,15,17-18H2,1-2H3,(H,30,32)