3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexahydropyrimidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-1-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-diazinan-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexahydropyrimidin-1-yl]phenyl]propionic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC3=C(CCNCC3)C=C2)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC3=C(CCNCC3)C=C2)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C23H27N3O3/c27-22(28)9-4-17-2-6-20(7-3-17)25-14-1-15-26(23(25)29)21-8-5-18-10-12-24-13-11-19(18)16-21/h2-3,5-8,16,24H,1,4,9-15H2,(H,27,28)