4-[4-[[4-(2-azanylethyl)phenyl]amino]piperidin-1-yl]carbonyl-N-octyl-piperidine-1-carboxamide methanoate

Systemtic Name: 4-[4-[[4-(2-azanylethyl)phenyl]amino]piperidin-1-yl]carbonyl-N-octyl-piperidine-1-carboxamide methanoate Openeye Name: 4-[4-[4-(2-aminoethyl)anilino]piperidine-1-carbonyl]-N-octyl-piperidine-1-carboxamide formate CAS Name: 4-[[4-[4-(2-aminoethyl)anilino]-1-piperidinyl]-oxomethyl]-N-octyl-1-piperidinecarboxamide formate IUPAC Name: 4-[4-[4-(2-aminoethyl)anilino]piperidine-1-carbonyl]-N-octylpiperidine-1-carboxamide formate Traditional Name: 4-[4-[4-(2-aminoethyl)anilino]piperidine-1-carbonyl]-N-octyl-piperidine-1-carboxamide formate Formula: C29H48N5O4- MolecularWeight: 530.72252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N1CCC(CC1)C(=O)N2CCC(CC2)NC3=CC=C(C=C3)CCN.C(=O)[O-]

Isomeric SMILES

CCCCCCCCNC(=O)N1CCC(CC1)C(=O)N2CCC(CC2)NC3=CC=C(C=C3)CCN.C(=O)[O-]

InChI

InChI=1S/C28H47N5O2.CH2O2/c1-2-3-4-5-6-7-18-30-28(35)33-19-13-24(14-20-33)27(34)32-21-15-26(16-22-32)31-25-10-8-23(9-11-25)12-17-29;2-1-3/h8-11,24,26,31H,2-7,12-22,29H2,1H3,(H,30,35);1H,(H,2,3)/p-1