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(phenylmethyl) 4-[1-(3-nitrophenyl)carbonylindol-3-yl]butanoate

(phenylmethyl) 4-[1-(3-nitrophenyl)carbonylindol-3-yl]butanoate

Systemtic Name:(phenylmethyl) 4-[1-(3-nitrophenyl)carbonylindol-3-yl]butanoate
Openeye Name:benzyl 4-[1-(3-nitrobenzoyl)indol-3-yl]butanoate
CAS Name:4-[1-[(3-nitrophenyl)-oxomethyl]-3-indolyl]butanoic acid (phenylmethyl) ester
IUPAC Name:benzyl 4-[1-(3-nitrobenzoyl)indol-3-yl]butanoate
Traditional Name:4-[1-(3-nitrobenzoyl)indol-3-yl]butyric acid benzyl ester
Formula: C26H22N2O5
MolecularWeight: 442.46328
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC2=CN(C3=CC=CC=C32)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC2=CN(C3=CC=CC=C32)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]


InChI

InChI=1S/C26H22N2O5/c29-25(33-18-19-8-2-1-3-9-19)15-7-11-21-17-27(24-14-5-4-13-23(21)24)26(30)20-10-6-12-22(16-20)28(31)32/h1-6,8-10,12-14,16-17H,7,11,15,18H2


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