[1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-3-yl] benzoate

Systemtic Name: [1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-3-yl] benzoate Openeye Name: [1-(2,6-diaminohexanoyl)pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [1-(2,6-diamino-1-oxohexyl)-3-pyrrolidinyl] ester IUPAC Name: [1-(2,6-diaminohexanoyl)pyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [1-(2,6-diaminohexanoyl)pyrrolidin-3-yl] ester Formula: C17H25N3O3 MolecularWeight: 319.3987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC(=O)C2=CC=CC=C2)C(=O)C(CCCCN)N

Isomeric SMILES

C1CN(CC1OC(=O)C2=CC=CC=C2)C(=O)C(CCCCN)N

InChI

InChI=1S/C17H25N3O3/c18-10-5-4-8-15(19)16(21)20-11-9-14(12-20)23-17(22)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,18-19H2