ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2O3.C2H2O4/c1-3-30-24-17-19(11-12-23(24)29-2)18-26-13-15-27(16-14-26)25(28)22-10-6-8-20-7-4-5-9-21(20)22;3-1(4)2(5)6/h4-12,17H,3,13-16,18H2,1-2H3;(H,3,4)(H,5,6)