[4-[(2S)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [4-[(2S)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl] 4-methylpiperazine-1-carboxylate Openeye Name: [4-[(2S)-3-isopropoxy-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-oxo-propyl]phenyl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [4-[(2S)-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-oxo-3-propan-2-yloxypropyl]phenyl] ester IUPAC Name: [4-[(2S)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl]phenyl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [4-[(2S)-2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-isopropoxy-3-keto-propyl]phenyl] ester Formula: C31H43N3O7 MolecularWeight: 569.68902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

Isomeric SMILES

CC(C)OC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

InChI

InChI=1S/C31H43N3O7/c1-20(2)40-26(35)25(14-21-5-7-24(8-6-21)41-29(38)34-11-9-33(3)10-12-34)32-27(36)30-15-22-13-23(16-30)18-31(17-22,19-30)28(37)39-4/h5-8,20,22-23,25H,9-19H2,1-4H3,(H,32,36)/t22?,23?,25-,30?,31?/m0/s1