3-oxidanylidene-3-[8-[(phenylmethyl)carbamoylamino]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[8-[(phenylmethyl)carbamoylamino]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]propanoic acid Openeye Name: 3-[8-(benzylcarbamoylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-oxo-propanoic acid CAS Name: 3-oxo-3-[8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]propanoic acid IUPAC Name: 3-[8-(benzylcarbamoylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[8-(benzylcarbamoylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-keto-propionic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=C(C1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)C(=O)CC(=O)O

Isomeric SMILES

C1CCN(C2=C(C1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)C(=O)CC(=O)O

InChI

InChI=1S/C21H23N3O4/c25-19(13-20(26)27)24-11-5-4-8-16-9-10-17(12-18(16)24)23-21(28)22-14-15-6-2-1-3-7-15/h1-3,6-7,9-10,12H,4-5,8,11,13-14H2,(H,26,27)(H2,22,23,28)