4-[[1-(1-anthracen-9-ylcarbonylpiperidin-4-yl)piperidin-3-yl]carbonyl-methyl-amino]benzoic acid

Systemtic Name: 4-[[1-(1-anthracen-9-ylcarbonylpiperidin-4-yl)piperidin-3-yl]carbonyl-methyl-amino]benzoic acid Openeye Name: 4-[[1-[1-(anthracene-9-carbonyl)-4-piperidyl]piperidine-3-carbonyl]-methyl-amino]benzoic acid CAS Name: 4-[[[1-[1-[9-anthracenyl(oxo)methyl]-4-piperidinyl]-3-piperidinyl]-oxomethyl]-methylamino]benzoic acid IUPAC Name: 4-[[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-methylamino]benzoic acid Traditional Name: 4-[[1-[1-(anthracene-9-carbonyl)-4-piperidyl]nipecotoyl]-methyl-amino]benzoic acid Formula: C34H35N3O4 MolecularWeight: 549.6594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)O)C(=O)C2CCCN(C2)C3CCN(CC3)C(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)C(=O)C2CCCN(C2)C3CCN(CC3)C(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64

InChI

InChI=1S/C34H35N3O4/c1-35(27-14-12-23(13-15-27)34(40)41)32(38)26-9-6-18-37(22-26)28-16-19-36(20-17-28)33(39)31-29-10-4-2-7-24(29)21-25-8-3-5-11-30(25)31/h2-5,7-8,10-15,21,26,28H,6,9,16-20,22H2,1H3,(H,40,41)