1-[1-(1-anthracen-9-ylcarbonylpiperidin-4-yl)piperidin-3-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-(1-anthracen-9-ylcarbonylpiperidin-4-yl)piperidin-3-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[1-(anthracene-9-carbonyl)-4-piperidyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[1-[1-[9-anthracenyl(oxo)methyl]-4-piperidinyl]-3-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[1-(anthracene-9-carbonyl)-4-piperidyl]nipecotoyl]proline Formula: C31H35N3O4 MolecularWeight: 513.6273

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)N6CCCC6C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)N6CCCC6C(=O)O

InChI

InChI=1S/C31H35N3O4/c35-29(34-16-6-12-27(34)31(37)38)23-9-5-15-33(20-23)24-13-17-32(18-14-24)30(36)28-25-10-3-1-7-21(25)19-22-8-2-4-11-26(22)28/h1-4,7-8,10-11,19,23-24,27H,5-6,9,12-18,20H2,(H,37,38)