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propan-2-yl 4-(1-adamantylcarbamoyl)benzoate

propan-2-yl 4-(1-adamantylcarbamoyl)benzoate

Systemtic Name:propan-2-yl 4-(1-adamantylcarbamoyl)benzoate
Openeye Name:isopropyl 4-(1-adamantylcarbamoyl)benzoate
CAS Name:4-[(1-adamantylamino)-oxomethyl]benzoic acid propan-2-yl ester
IUPAC Name:propan-2-yl 4-(1-adamantylcarbamoyl)benzoate
Traditional Name:4-(1-adamantylcarbamoyl)benzoic acid isopropyl ester
Formula: C21H27NO3
MolecularWeight: 341.44398
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3


Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C21H27NO3/c1-13(2)25-20(24)18-5-3-17(4-6-18)19(23)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16H,7-12H2,1-2H3,(H,22,23)


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