2-[[(3S)-1-[4-(1-cyclooctylpiperidin-4-yl)-3-oxidanylidene-quinoxalin-2-yl]pyrrolidin-3-yl]amino]ethanoic acid

Systemtic Name: 2-[[(3S)-1-[4-(1-cyclooctylpiperidin-4-yl)-3-oxidanylidene-quinoxalin-2-yl]pyrrolidin-3-yl]amino]ethanoic acid Openeye Name: 2-[[(3S)-1-[4-(1-cyclooctyl-4-piperidyl)-3-oxo-quinoxalin-2-yl]pyrrolidin-3-yl]amino]acetic acid CAS Name: 2-[[(3S)-1-[4-(1-cyclooctyl-4-piperidinyl)-3-oxo-2-quinoxalinyl]-3-pyrrolidinyl]amino]acetic acid IUPAC Name: 2-[[(3S)-1-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]pyrrolidin-3-yl]amino]acetic acid Traditional Name: 2-[[(3S)-1-[4-(1-cyclooctyl-4-piperidyl)-3-keto-quinoxalin-2-yl]pyrrolidin-3-yl]amino]acetic acid Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C(C3=O)N5CCC(C5)NCC(=O)O

Isomeric SMILES

C1CCCC(CCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C(C3=O)N5CC[C@@H](C5)NCC(=O)O

InChI

InChI=1S/C27H39N5O3/c33-25(34)18-28-20-12-15-31(19-20)26-27(35)32(24-11-7-6-10-23(24)29-26)22-13-16-30(17-14-22)21-8-4-2-1-3-5-9-21/h6-7,10-11,20-22,28H,1-5,8-9,12-19H2,(H,33,34)/t20-/m0/s1