ethanedioic acid; [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[(2-methoxy-1-naphthyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid CAS Name: [4-[(2-methoxy-1-naphthalenyl)methyl]-1-piperazinyl]-(3-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-[(2-methoxy-1-naphthyl)methyl]piperazino]-(3-methoxyphenyl)methanone; oxalic acid Formula: C26H28N2O7 MolecularWeight: 480.50972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O3.C2H2O4/c1-28-20-8-5-7-19(16-20)24(27)26-14-12-25(13-15-26)17-22-21-9-4-3-6-18(21)10-11-23(22)29-2;3-1(4)2(5)6/h3-11,16H,12-15,17H2,1-2H3;(H,3,4)(H,5,6)