2-[6-oxidanylidene-5-[5-[(phenylmethyl)carbamoylamino]pentyl]-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[6-oxidanylidene-5-[5-[(phenylmethyl)carbamoylamino]pentyl]-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[5-[5-(benzylcarbamoylamino)pentyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[6-oxo-5-[5-[[oxo-[(phenylmethyl)amino]methyl]amino]pentyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[5-[5-(benzylcarbamoylamino)pentyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[5-[5-(benzylcarbamoylamino)pentyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NCCCCCN2C3=CC=CC=C3C(C4=CC=CC=C4C2=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NCCCCCN2C3=CC=CC=C3C(C4=CC=CC=C4C2=O)CC(=O)O

InChI

InChI=1S/C29H31N3O4/c33-27(34)19-25-22-13-5-6-15-24(22)28(35)32(26-16-8-7-14-23(25)26)18-10-2-9-17-30-29(36)31-20-21-11-3-1-4-12-21/h1,3-8,11-16,25H,2,9-10,17-20H2,(H,33,34)(H2,30,31,36)