N-(1-adamantylmethyl)-2-chloranyl-5-[3-(methylamino)propyl]benzamide; ethanoic acid

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[3-(methylamino)propyl]benzamide; ethanoic acid Openeye Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[3-(methylamino)propyl]benzamide CAS Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[3-(methylamino)propyl]benzamide IUPAC Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[3-(methylamino)propyl]benzamide Traditional Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[3-(methylamino)propyl]benzamide Formula: C24H35ClN2O3 MolecularWeight: 434.9993

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CNCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)O.CNCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31ClN2O.C2H4O2/c1-24-6-2-3-15-4-5-20(23)19(10-15)21(26)25-14-22-11-16-7-17(12-22)9-18(8-16)13-22;1-2(3)4/h4-5,10,16-18,24H,2-3,6-9,11-14H2,1H3,(H,25,26);1H3,(H,3,4)