methyl (1S,4aS,10aR)-7-azanyl-1,4a-dimethyl-6-oxidanyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aS,10aR)-7-azanyl-1,4a-dimethyl-6-oxidanyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Openeye Name: methyl (1S,4aS,10aR)-7-amino-6-hydroxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate CAS Name: (1S,4aS,10aR)-7-amino-6-hydroxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,10aR)-7-amino-6-hydroxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylate Traditional Name: (1S,4aS,10aR)-7-amino-6-hydroxy-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C=CC3=CC(=C(C=C23)O)N)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@]([C@@H]1C=CC3=CC(=C(C=C23)O)N)(C)C(=O)OC

InChI

InChI=1S/C18H23NO3/c1-17-7-4-8-18(2,16(21)22-3)15(17)6-5-11-9-13(19)14(20)10-12(11)17/h5-6,9-10,15,20H,4,7-8,19H2,1-3H3/t15-,17-,18+/m1/s1