methyl (1R,4aS,10aR)-8-azanyl-6-[(2-methoxyphenyl)amino]-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS,10aR)-8-azanyl-6-[(2-methoxyphenyl)amino]-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS,10aR)-8-amino-7-isopropyl-6-(2-methoxyanilino)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-8-amino-6-(2-methoxyanilino)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS,10aR)-8-amino-6-(2-methoxyanilino)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-8-amino-7-isopropyl-1,4a-dimethyl-6-(o-anisidino)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1N)CCC3C2(CCCC3(C)C(=O)OC)C)NC4=CC=CC=C4OC

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1N)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)NC4=CC=CC=C4OC

InChI

InChI=1S/C28H38N2O3/c1-17(2)24-21(30-20-10-7-8-11-22(20)32-5)16-19-18(25(24)29)12-13-23-27(19,3)14-9-15-28(23,4)26(31)33-6/h7-8,10-11,16-17,23,30H,9,12-15,29H2,1-6H3/t23-,27-,28-/m1/s1