ethyl 2-[7-chloranyl-1-(4-iodanylbutyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-1-(4-iodanylbutyl)-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-1-(4-iodobutyl)-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate CAS Name: 2-[7-chloro-1-(4-iodobutyl)-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-1-(4-iodobutyl)-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate Traditional Name: 2-[7-chloro-1-(4-iodobutyl)-2-keto-5-(1-naphthyl)-5H-4,1-benzoxazepin-3-yl]acetic acid ethyl ester Formula: C27H27ClINO4 MolecularWeight: 591.86505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=CC=CC4=CC=CC=C43)CCCCI

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=CC=CC4=CC=CC=C43)CCCCI

InChI

InChI=1S/C27H27ClINO4/c1-2-33-25(31)17-24-27(32)30(15-6-5-14-29)23-13-12-19(28)16-22(23)26(34-24)21-11-7-9-18-8-3-4-10-20(18)21/h3-4,7-13,16,24,26H,2,5-6,14-15,17H2,1H3