(4-methyl-1-propan-2-yl-cyclohex-3-en-1-yl) 3-benzamido-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: (4-methyl-1-propan-2-yl-cyclohex-3-en-1-yl) 3-benzamido-2-oxidanyl-3-phenyl-propanoate Openeye Name: (1-isopropyl-4-methyl-cyclohex-3-en-1-yl) 3-benzamido-2-hydroxy-3-phenyl-propanoate CAS Name: 3-benzamido-2-hydroxy-3-phenylpropanoic acid (4-methyl-1-propan-2-yl-1-cyclohex-3-enyl) ester IUPAC Name: (4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) 3-benzamido-2-hydroxy-3-phenylpropanoate Traditional Name: 3-benzamido-2-hydroxy-3-phenyl-propionic acid (1-isopropyl-4-methyl-cyclohex-3-en-1-yl) ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)(C(C)C)OC(=O)C(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CCC(CC1)(C(C)C)OC(=O)C(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C26H31NO4/c1-18(2)26(16-14-19(3)15-17-26)31-25(30)23(28)22(20-10-6-4-7-11-20)27-24(29)21-12-8-5-9-13-21/h4-14,18,22-23,28H,15-17H2,1-3H3,(H,27,29)