[1-[4-(4-aminocarbonylphenyl)butan-2-ylamino]-3-phenoxy-propan-2-yl] ethanoate hydrochloride

Systemtic Name: [1-[4-(4-aminocarbonylphenyl)butan-2-ylamino]-3-phenoxy-propan-2-yl] ethanoate hydrochloride Openeye Name: [1-[[[3-(4-carbamoylphenyl)-1-methyl-propyl]amino]methyl]-2-phenoxy-ethyl] acetate hydrochloride CAS Name: acetic acid [1-[4-(4-carbamoylphenyl)butan-2-ylamino]-3-phenoxypropan-2-yl] ester hydrochloride IUPAC Name: [1-[4-(4-carbamoylphenyl)butan-2-ylamino]-3-phenoxypropan-2-yl] acetate hydrochloride Traditional Name: acetic acid [1-[[[3-(4-carbamoylphenyl)-1-methyl-propyl]amino]methyl]-2-phenoxy-ethyl] ester hydrochloride Formula: C22H29ClN2O4 MolecularWeight: 420.92966

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(=O)N)NCC(COC2=CC=CC=C2)OC(=O)C.Cl

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C(=O)N)NCC(COC2=CC=CC=C2)OC(=O)C.Cl

InChI

InChI=1S/C22H28N2O4.ClH/c1-16(8-9-18-10-12-19(13-11-18)22(23)26)24-14-21(28-17(2)25)15-27-20-6-4-3-5-7-20;/h3-7,10-13,16,21,24H,8-9,14-15H2,1-2H3,(H2,23,26);1H