methyl 5-oxidanyl-2-[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]benzoate

Systemtic Name: methyl 5-oxidanyl-2-[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]benzoate Openeye Name: methyl 5-hydroxy-2-[[1-methyl-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate CAS Name: 5-hydroxy-2-[1-(4-phenyl-1-piperazinyl)propan-2-ylamino]benzoic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]benzoate Traditional Name: 5-hydroxy-2-[[1-methyl-2-(4-phenylpiperazino)ethyl]amino]benzoic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=CC=CC=C2)NC3=C(C=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC(CN1CCN(CC1)C2=CC=CC=C2)NC3=C(C=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C21H27N3O3/c1-16(22-20-9-8-18(25)14-19(20)21(26)27-2)15-23-10-12-24(13-11-23)17-6-4-3-5-7-17/h3-9,14,16,22,25H,10-13,15H2,1-2H3