4-(aminomethyl)-N-[1-(3-methoxypropylamino)-1-oxidanylidene-3-(3-phenoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-(3-methoxypropylamino)-1-oxidanylidene-3-(3-phenoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxo-1-[(3-phenoxyphenyl)methyl]ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-(3-methoxypropylamino)-1-oxo-3-(3-phenoxyphenyl)propan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-(3-methoxypropylamino)-1-oxo-3-(3-phenoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[2-keto-2-(3-methoxypropylamino)-1-(3-phenoxybenzyl)ethyl]cyclohexanecarboxamide Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(CC1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)C3CCC(CC3)CN

Isomeric SMILES

COCCCNC(=O)C(CC1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)C3CCC(CC3)CN

InChI

InChI=1S/C27H37N3O4/c1-33-16-6-15-29-27(32)25(30-26(31)22-13-11-20(19-28)12-14-22)18-21-7-5-10-24(17-21)34-23-8-3-2-4-9-23/h2-5,7-10,17,20,22,25H,6,11-16,18-19,28H2,1H3,(H,29,32)(H,30,31)