tert-butyl N-[1-(ethoxymethyl)indol-2-yl]carbonyl-N-[3-(2-iodanylphenyl)propyl]carbamate

Systemtic Name: tert-butyl N-[1-(ethoxymethyl)indol-2-yl]carbonyl-N-[3-(2-iodanylphenyl)propyl]carbamate Openeye Name: tert-butyl N-[1-(ethoxymethyl)indole-2-carbonyl]-N-[3-(2-iodophenyl)propyl]carbamate CAS Name: N-[[1-(ethoxymethyl)-2-indolyl]-oxomethyl]-N-[3-(2-iodophenyl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(ethoxymethyl)indole-2-carbonyl]-N-[3-(2-iodophenyl)propyl]carbamate Traditional Name: N-[1-(ethoxymethyl)indole-2-carbonyl]-N-[3-(2-iodophenyl)propyl]carbamic acid tert-butyl ester Formula: C26H31IN2O4 MolecularWeight: 562.43981

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C2=CC=CC=C2C=C1C(=O)N(CCCC3=CC=CC=C3I)C(=O)OC(C)(C)C

Isomeric SMILES

CCOCN1C2=CC=CC=C2C=C1C(=O)N(CCCC3=CC=CC=C3I)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H31IN2O4/c1-5-32-18-29-22-15-9-7-12-20(22)17-23(29)24(30)28(25(31)33-26(2,3)4)16-10-13-19-11-6-8-14-21(19)27/h6-9,11-12,14-15,17H,5,10,13,16,18H2,1-4H3