2-[6-oxidanylidene-5-[4-[4-[(phenylmethyl)carbamoylamino]phenyl]butyl]-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[6-oxidanylidene-5-[4-[4-[(phenylmethyl)carbamoylamino]phenyl]butyl]-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[5-[4-[4-(benzylcarbamoylamino)phenyl]butyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[6-oxo-5-[4-[4-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]butyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[5-[4-[4-(benzylcarbamoylamino)phenyl]butyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[5-[4-[4-(benzylcarbamoylamino)phenyl]butyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C34H33N3O4 MolecularWeight: 547.64352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)CCCCN3C4=CC=CC=C4C(C5=CC=CC=C5C3=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)CCCCN3C4=CC=CC=C4C(C5=CC=CC=C5C3=O)CC(=O)O

InChI

InChI=1S/C34H33N3O4/c38-32(39)22-30-27-13-4-5-15-29(27)33(40)37(31-16-7-6-14-28(30)31)21-9-8-10-24-17-19-26(20-18-24)36-34(41)35-23-25-11-2-1-3-12-25/h1-7,11-20,30H,8-10,21-23H2,(H,38,39)(H2,35,36,41)