2-[(2-methyl-6-propan-2-yl-cyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-[(2-methyl-6-propan-2-yl-cyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-[(2-isopropyl-6-methyl-cyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-[(2-methyl-6-propan-2-ylcyclohexyl)amino]ethyl ester hydrochloride IUPAC Name: 2-[(2-methyl-6-propan-2-ylcyclohexyl)amino]ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-[(2-isopropyl-6-methyl-cyclohexyl)amino]ethyl ester hydrochloride Formula: C19H29ClN2O4 MolecularWeight: 384.89756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C.Cl

Isomeric SMILES

CC1CCCC(C1NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C.Cl

InChI

InChI=1S/C19H28N2O4.ClH/c1-13(2)17-6-4-5-14(3)18(17)20-11-12-25-19(22)15-7-9-16(10-8-15)21(23)24;/h7-10,13-14,17-18,20H,4-6,11-12H2,1-3H3;1H