ethyl 4-[2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[4-(1-adamantyl)benzoyl]amino]-3-methyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[[4-(1-adamantyl)phenyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-(1-adamantyl)benzoyl]amino]-3-methylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-(1-adamantyl)benzoyl]amino]-3-methyl-butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H41N3O4 MolecularWeight: 495.65354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H41N3O4/c1-4-36-28(35)32-11-9-31(10-12-32)27(34)25(19(2)3)30-26(33)23-5-7-24(8-6-23)29-16-20-13-21(17-29)15-22(14-20)18-29/h5-8,19-22,25H,4,9-18H2,1-3H3,(H,30,33)