(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 3-acetamidoadamantane-1-carboxylate Openeye Name: 1-(phenylcarbamoyl)propyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid 1-(phenylcarbamoyl)propyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C23H30N2O4/c1-3-19(20(27)24-18-7-5-4-6-8-18)29-21(28)22-10-16-9-17(11-22)13-23(12-16,14-22)25-15(2)26/h4-8,16-17,19H,3,9-14H2,1-2H3,(H,24,27)(H,25,26)