ethanedioic acid; [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid CAS Name: [4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinyl]-(3-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazino]-(3-methoxyphenyl)methanone; oxalic acid Formula: C29H31N3O6 MolecularWeight: 517.57294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)OC)C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)OC)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H29N3O2.C2H2O4/c1-3-30-25-10-5-4-9-23(25)24-17-20(11-12-26(24)30)19-28-13-15-29(16-14-28)27(31)21-7-6-8-22(18-21)32-2;3-1(4)2(5)6/h4-12,17-18H,3,13-16,19H2,1-2H3;(H,3,4)(H,5,6)