[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate Openeye Name: [4-(3-tert-butoxy-3-oxo-propyl)phenyl] 4-(aminomethyl)cyclohexanecarboxylate CAS Name: 4-(aminomethyl)-1-cyclohexanecarboxylic acid [4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(aminomethyl)cyclohexanecarboxylic acid [4-(3-tert-butoxy-3-keto-propyl)phenyl] ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN

InChI

InChI=1S/C21H31NO4/c1-21(2,3)26-19(23)13-8-15-6-11-18(12-7-15)25-20(24)17-9-4-16(14-22)5-10-17/h6-7,11-12,16-17H,4-5,8-10,13-14,22H2,1-3H3