2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-3-phenyl-propionic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C25H29NO6/c27-23(17-9-5-2-6-10-17)22(18-11-12-20-21(14-18)32-15-31-20)24(28)26-19(25(29)30)13-16-7-3-1-4-8-16/h1,3-4,7-8,11-12,14,17,19,22-23,27H,2,5-6,9-10,13,15H2,(H,26,28)(H,29,30)