methyl 4-[(3-chloranyl-1-adamantyl)carbonylamino]-3-methyl-benzoate

Systemtic Name: methyl 4-[(3-chloranyl-1-adamantyl)carbonylamino]-3-methyl-benzoate Openeye Name: methyl 4-[(3-chloroadamantane-1-carbonyl)amino]-3-methyl-benzoate CAS Name: 4-[[(3-chloro-1-adamantyl)-oxomethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[(3-chloroadamantane-1-carbonyl)amino]-3-methylbenzoate Traditional Name: 4-[(3-chloroadamantane-1-carbonyl)amino]-3-methyl-benzoic acid methyl ester Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H24ClNO3/c1-12-5-15(17(23)25-2)3-4-16(12)22-18(24)19-7-13-6-14(8-19)10-20(21,9-13)11-19/h3-5,13-14H,6-11H2,1-2H3,(H,22,24)