ethanedioic acid; N-naphthalen-1-yl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide

Systemtic Name: ethanedioic acid; N-naphthalen-1-yl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide Openeye Name: N-(1-naphthyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide; oxalic acid CAS Name: N-(1-naphthalenyl)-2-[4-(2-phenoxyethyl)-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-naphthalen-1-yl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide; oxalic acid Traditional Name: N-(1-naphthyl)-2-[4-(2-phenoxyethyl)piperazino]propionamide; oxalic acid Formula: C29H33N3O10 MolecularWeight: 583.58642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)N3CCN(CC3)CCOC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)N3CCN(CC3)CCOC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O2.2C2H2O4/c1-20(25(29)26-24-13-7-9-21-8-5-6-12-23(21)24)28-16-14-27(15-17-28)18-19-30-22-10-3-2-4-11-22;2*3-1(4)2(5)6/h2-13,20H,14-19H2,1H3,(H,26,29);2*(H,3,4)(H,5,6)