methyl (1R,4aS)-7-azanyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS)-7-azanyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS)-7-amino-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS)-7-amino-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS)-7-amino-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS)-7-amino-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CCC3=C2C=CC(=C3)N)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@@](C1CCC3=C2C=CC(=C3)N)(C)C(=O)OC

InChI

InChI=1S/C18H25NO2/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h6-7,11,15H,4-5,8-10,19H2,1-3H3/t15?,17-,18-/m1/s1