methyl 3-[[(2S)-3-[4-(2-cyanophenyl)phenyl]-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[(2S)-3-[4-(2-cyanophenyl)phenyl]-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-3-[4-(2-cyanophenyl)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-3-[4-(2-cyanophenyl)phenyl]-1-methoxy-1-oxopropan-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-1-[4-(2-cyanophenyl)benzyl]-2-keto-2-methoxy-ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C30H32N2O5 MolecularWeight: 500.58548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2C#N)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

InChI

InChI=1S/C30H32N2O5/c1-36-26(33)25(12-19-7-9-22(10-8-19)24-6-4-3-5-23(24)17-31)32-27(34)29-13-20-11-21(14-29)16-30(15-20,18-29)28(35)37-2/h3-10,20-21,25H,11-16,18H2,1-2H3,(H,32,34)/t20?,21?,25-,29?,30?/m0/s1