3-[7-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]propanoic acid Openeye Name: 3-[7-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]propanoic acid CAS Name: 3-[7-[[methyl-[2-(4-piperidinyl)ethyl]amino]-oxomethyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]propanoic acid IUPAC Name: 3-[7-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]propanoic acid Traditional Name: 3-[3-keto-7-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]propionic acid Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCNCC1)C(=O)C2=CC3=C(CN(C(=O)C(C3)CCC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN(CCC1CCNCC1)C(=O)C2=CC3=C(CN(C(=O)C(C3)CCC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C30H39N3O4/c1-32(17-13-23-11-15-31-16-12-23)29(36)24-7-8-26-21-33(18-14-22-5-3-2-4-6-22)30(37)25(9-10-28(34)35)20-27(26)19-24/h2-8,19,23,25,31H,9-18,20-21H2,1H3,(H,34,35)