(5S,7R)-3-chloranyl-N-[2-[(4-ethoxy-3-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(4-ethoxy-3-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(4-ethoxy-3-methoxy-anilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-(4-ethoxy-3-methoxy-anilino)-2-keto-ethyl]adamantane-1-carboxamide Formula: C22H29ClN2O4 MolecularWeight: 420.92966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)OC

InChI

InChI=1S/C22H29ClN2O4/c1-3-29-17-5-4-16(7-18(17)28-2)25-19(26)12-24-20(27)21-8-14-6-15(9-21)11-22(23,10-14)13-21/h4-5,7,14-15H,3,6,8-13H2,1-2H3,(H,24,27)(H,25,26)/t14-,15+,21?,22?