4-(aminomethyl)-N-[(2S)-1-oxidanylidene-1-[(4-pentylphenyl)amino]-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[(2S)-1-oxidanylidene-1-[(4-pentylphenyl)amino]-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[(1S)-2-oxo-2-(4-pentylanilino)-1-[[4-(4-pyridylmethoxy)phenyl]methyl]ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[(2S)-1-oxo-1-(4-pentylanilino)-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[(2S)-1-oxo-1-(4-pentylanilino)-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[(1S)-2-(4-amylanilino)-2-keto-1-[4-(4-pyridylmethoxy)benzyl]ethyl]cyclohexanecarboxamide Formula: C34H44N4O3 MolecularWeight: 556.73816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=NC=C3)NC(=O)C4CCC(CC4)CN

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=C(C=C2)OCC3=CC=NC=C3)NC(=O)C4CCC(CC4)CN

InChI

InChI=1S/C34H44N4O3/c1-2-3-4-5-25-8-14-30(15-9-25)37-34(40)32(38-33(39)29-12-6-27(23-35)7-13-29)22-26-10-16-31(17-11-26)41-24-28-18-20-36-21-19-28/h8-11,14-21,27,29,32H,2-7,12-13,22-24,35H2,1H3,(H,37,40)(H,38,39)/t27?,29?,32-/m0/s1