3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-ethanoyl-amino]benzoic acid

Systemtic Name: 3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-ethanoyl-amino]benzoic acid Openeye Name: 3-[acetyl-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]amino]benzoic acid CAS Name: 3-[acetyl-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]amino]benzoic acid IUPAC Name: 3-[acetyl-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]amino]benzoic acid Traditional Name: 3-[acetyl-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]amino]benzoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC(=O)N(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H26N2O3/c1-19(29)27(23-11-6-10-22(18-23)26(30)31)16-7-17-28-24-12-4-2-8-20(24)14-15-21-9-3-5-13-25(21)28/h2-6,8-13,18H,7,14-17H2,1H3,(H,30,31)