[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-[(4-methoxyphenyl)amino]-3-naphthalen-2-yl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-[(4-methoxyphenyl)amino]-3-naphthalen-2-yl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3R)-3-(4-methoxyanilino)-3-(2-naphthyl)propanoate CAS Name: (3R)-3-(4-methoxyanilino)-3-(2-naphthalenyl)propanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-(4-methoxyanilino)-3-naphthalen-2-ylpropanoate Traditional Name: (3R)-3-(2-naphthyl)-3-(p-anisidino)propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C30H37NO3 MolecularWeight: 459.61968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C2=CC3=CC=CC=C3C=C2)NC4=CC=C(C=C4)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@H](C2=CC3=CC=CC=C3C=C2)NC4=CC=C(C=C4)OC)C(C)C

InChI

InChI=1S/C30H37NO3/c1-20(2)27-16-9-21(3)17-29(27)34-30(32)19-28(31-25-12-14-26(33-4)15-13-25)24-11-10-22-7-5-6-8-23(22)18-24/h5-8,10-15,18,20-21,27-29,31H,9,16-17,19H2,1-4H3/t21-,27+,28-,29-/m1/s1