methyl (1R,4aS,10aR)-7-azanyl-1,4a-dimethyl-6-naphthalen-2-yl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS,10aR)-7-azanyl-1,4a-dimethyl-6-naphthalen-2-yl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS,10aR)-7-amino-1,4a-dimethyl-6-(2-naphthyl)-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-7-amino-1,4a-dimethyl-6-(2-naphthalenyl)-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS,10aR)-7-amino-1,4a-dimethyl-6-naphthalen-2-yl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-7-amino-9-keto-1,4a-dimethyl-6-(2-naphthyl)-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CC(=O)C3=C2C=C(C(=C3)N)C4=CC5=CC=CC=C5C=C4)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@@]([C@@H]1CC(=O)C3=C2C=C(C(=C3)N)C4=CC5=CC=CC=C5C=C4)(C)C(=O)OC

InChI

InChI=1S/C28H29NO3/c1-27-11-6-12-28(2,26(31)32-3)25(27)16-24(30)21-15-23(29)20(14-22(21)27)19-10-9-17-7-4-5-8-18(17)13-19/h4-5,7-10,13-15,25H,6,11-12,16,29H2,1-3H3/t25-,27-,28-/m1/s1