methyl 4-[[(1S)-1-(1-adamantyl)butyl]carbamoylamino]benzoate

Systemtic Name: methyl 4-[[(1S)-1-(1-adamantyl)butyl]carbamoylamino]benzoate Openeye Name: methyl 4-[[(1S)-1-(1-adamantyl)butyl]carbamoylamino]benzoate CAS Name: 4-[[[[(1S)-1-(1-adamantyl)butyl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-1-(1-adamantyl)butyl]carbamoylamino]benzoate Traditional Name: 4-[[(1S)-1-(1-adamantyl)butyl]carbamoylamino]benzoic acid methyl ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H32N2O3/c1-3-4-20(23-12-15-9-16(13-23)11-17(10-15)14-23)25-22(27)24-19-7-5-18(6-8-19)21(26)28-2/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H2,24,25,27)/t15?,16?,17?,20-,23?/m0/s1