4-[[7-chloranyl-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-1-ium-1-yl]amino]-3-ethanoyl-5-methoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[7-chloranyl-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-1-ium-1-yl]amino]-3-ethanoyl-5-methoxy-5-oxidanylidene-pentanoic acid Openeye Name: 3-acetyl-4-[[7-chloro-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-1-ium-1-yl]amino]-5-methoxy-5-oxo-pentanoic acid CAS Name: 3-acetyl-4-[[7-chloro-1-(2,2-dimethylpropyl)-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-1-ium-1-yl]amino]-5-methoxy-5-oxopentanoic acid IUPAC Name: 3-acetyl-4-[[7-chloro-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-1-ium-1-yl]amino]-5-methoxy-5-oxopentanoic acid Traditional Name: 3-acetyl-4-[[7-chloro-2-keto-5-(1-naphthyl)-1-neopentyl-5H-4,1-benzoxazepin-1-ium-1-yl]amino]-5-keto-5-methoxy-valeric acid Formula: C32H36ClN2O7+ MolecularWeight: 596.09044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)O)C(C(=O)OC)N[N+]1(C(=O)COC(C2=C1C=CC(=C2)Cl)C3=CC=CC4=CC=CC=C43)CC(C)(C)C

Isomeric SMILES

CC(=O)C(CC(=O)O)C(C(=O)OC)N[N+]1(C(=O)COC(C2=C1C=CC(=C2)Cl)C3=CC=CC4=CC=CC=C43)CC(C)(C)C

InChI

InChI=1S/C32H35ClN2O7/c1-19(36)24(16-28(38)39)29(31(40)41-5)34-35(18-32(2,3)4)26-14-13-21(33)15-25(26)30(42-17-27(35)37)23-12-8-10-20-9-6-7-11-22(20)23/h6-15,24,29-30,34H,16-18H2,1-5H3/p+1