methyl (2S)-2-(1-adamantyl)-2-[(4-chlorophenyl)carbonylamino]ethanoate

Systemtic Name: methyl (2S)-2-(1-adamantyl)-2-[(4-chlorophenyl)carbonylamino]ethanoate Openeye Name: methyl (2S)-2-(1-adamantyl)-2-[(4-chlorobenzoyl)amino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[[(4-chlorophenyl)-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyl)-2-[(4-chlorobenzoyl)amino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-[(4-chlorobenzoyl)amino]acetic acid methyl ester Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H24ClNO3/c1-25-19(24)17(22-18(23)15-2-4-16(21)5-3-15)20-9-12-6-13(10-20)8-14(7-12)11-20/h2-5,12-14,17H,6-11H2,1H3,(H,22,23)/t12?,13?,14?,17-,20?/m1/s1