methyl 4-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-3-methyl-benzoate

Systemtic Name: methyl 4-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-3-methyl-benzoate Openeye Name: methyl 4-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(3-bromo-1-adamantyl)acetyl]amino]-3-methyl-benzoic acid methyl ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H26BrNO3/c1-13-5-16(19(25)26-2)3-4-17(13)23-18(24)11-20-7-14-6-15(8-20)10-21(22,9-14)12-20/h3-5,14-15H,6-12H2,1-2H3,(H,23,24)