[4-(3-oxidanylidene-3-phenylmethoxy-propyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate

Systemtic Name: [4-(3-oxidanylidene-3-phenylmethoxy-propyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate Openeye Name: [4-(3-benzyloxy-3-oxo-propyl)phenyl] 4-(aminomethyl)cyclohexanecarboxylate CAS Name: 4-(aminomethyl)-1-cyclohexanecarboxylic acid [4-(3-oxo-3-phenylmethoxypropyl)phenyl] ester IUPAC Name: [4-(3-oxo-3-phenylmethoxypropyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(aminomethyl)cyclohexanecarboxylic acid [4-(3-benzoxy-3-keto-propyl)phenyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29NO4/c25-16-19-6-11-21(12-7-19)24(27)29-22-13-8-18(9-14-22)10-15-23(26)28-17-20-4-2-1-3-5-20/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,25H2