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

Systemtic Name: [4-[(2S)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl] piperazine-1-carboxylate Openeye Name: [4-[(2S)-3-isopropoxy-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-oxo-propyl]phenyl] piperazine-1-carboxylate CAS Name: 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] piperazine-1-carboxylate Traditional Name: piperazine-1-carboxylic acid [4-[(2S)-2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-isopropoxy-3-keto-propyl]phenyl] ester Formula: C30H41N3O7 MolecularWeight: 555.66244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N2CCNCC2)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)N2CCNCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

InChI

InChI=1S/C30H41N3O7/c1-19(2)39-25(34)24(13-20-4-6-23(7-5-20)40-28(37)33-10-8-31-9-11-33)32-26(35)29-14-21-12-22(15-29)17-30(16-21,18-29)27(36)38-3/h4-7,19,21-22,24,31H,8-18H2,1-3H3,(H,32,35)/t21?,22?,24-,29?,30?/m0/s1