ethyl (3R)-3-(1-adamantylcarbonylamino)-3-(2-chlorophenyl)propanoate

Systemtic Name: ethyl (3R)-3-(1-adamantylcarbonylamino)-3-(2-chlorophenyl)propanoate Openeye Name: ethyl (3R)-3-(adamantane-1-carbonylamino)-3-(2-chlorophenyl)propanoate CAS Name: (3R)-3-[[1-adamantyl(oxo)methyl]amino]-3-(2-chlorophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(adamantane-1-carbonylamino)-3-(2-chlorophenyl)propanoate Traditional Name: (3R)-3-(adamantane-1-carbonylamino)-3-(2-chlorophenyl)propionic acid ethyl ester Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C[C@H](C1=CC=CC=C1Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28ClNO3/c1-2-27-20(25)10-19(17-5-3-4-6-18(17)23)24-21(26)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,14-16,19H,2,7-13H2,1H3,(H,24,26)/t14?,15?,16?,19-,22?/m1/s1