(phenylmethyl) 3-[(3aS,6S,7aS)-3,3,6-trimethyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazol-1-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[(3aS,6S,7aS)-3,3,6-trimethyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazol-1-yl]propanoate Openeye Name: benzyl 3-[(3aS,6S,7aS)-3,3,6-trimethyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazol-1-yl]propanoate CAS Name: 3-[(3aS,6S,7aS)-3,3,6-trimethyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazol-1-yl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(3aS,6S,7aS)-3,3,6-trimethyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazol-1-yl]propanoate Traditional Name: 3-[(3aS,6S,7aS)-3,3,6-trimethyl-3a,4,5,6,7,7a-hexahydroanthranil-1-yl]propionic acid benzyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)N(OC2(C)C)CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC[C@H]2[C@H](C1)N(OC2(C)C)CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H29NO3/c1-15-9-10-17-18(13-15)21(24-20(17,2)3)12-11-19(22)23-14-16-7-5-4-6-8-16/h4-8,15,17-18H,9-14H2,1-3H3/t15-,17-,18-/m0/s1