[(2S)-2-(diethylamino)-4-methyl-pentyl] 4-azanyl-3-butoxy-benzoate

Systemtic Name: [(2S)-2-(diethylamino)-4-methyl-pentyl] 4-azanyl-3-butoxy-benzoate Openeye Name: [(2S)-2-(diethylamino)-4-methyl-pentyl] 4-amino-3-butoxy-benzoate CAS Name: 4-amino-3-butoxybenzoic acid [(2S)-2-(diethylamino)-4-methylpentyl] ester IUPAC Name: [(2S)-2-(diethylamino)-4-methylpentyl] 4-amino-3-butoxybenzoate Traditional Name: 4-amino-3-butoxy-benzoic acid [(2S)-2-(diethylamino)-4-methyl-pentyl] ester Formula: C21H36N2O3 MolecularWeight: 364.52214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCC(CC(C)C)N(CC)CC)N

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OC[C@H](CC(C)C)N(CC)CC)N

InChI

InChI=1S/C21H36N2O3/c1-6-9-12-25-20-14-17(10-11-19(20)22)21(24)26-15-18(13-16(4)5)23(7-2)8-3/h10-11,14,16,18H,6-9,12-13,15,22H2,1-5H3/t18-/m0/s1