2-[3-oxidanylidene-2-phenethyl-7-(3-piperazin-1-ylpropoxy)-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-2-phenethyl-7-(3-piperazin-1-ylpropoxy)-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[3-oxo-2-phenethyl-7-(3-piperazin-1-ylpropoxy)-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[3-oxo-2-phenethyl-7-[3-(1-piperazinyl)propoxy]-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[3-oxo-2-phenethyl-7-(3-piperazin-1-ylpropoxy)-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2-phenethyl-7-(3-piperazinopropoxy)-1H-2-benzazepin-4-yl]acetic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCOC2=CC3=C(CN(C(=O)C(=C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CN(CCN1)CCCOC2=CC3=C(CN(C(=O)C(=C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C27H33N3O4/c31-26(32)19-24-17-23-18-25(34-16-4-12-29-14-10-28-11-15-29)8-7-22(23)20-30(27(24)33)13-9-21-5-2-1-3-6-21/h1-3,5-8,17-18,28H,4,9-16,19-20H2,(H,31,32)