tert-butyl 3-[1-[but-3-enyl(phenylmethoxycarbonyl)amino]-2-methylidene-butyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[1-[but-3-enyl(phenylmethoxycarbonyl)amino]-2-methylidene-butyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[1-[benzyloxycarbonyl(but-3-enyl)amino]-2-methylene-butyl]indole-1-carboxylate CAS Name: 3-[1-[but-3-enyl(phenylmethoxycarbonyl)amino]-2-methylenebutyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[but-3-enyl(phenylmethoxycarbonyl)amino]-2-methylidenebutyl]indole-1-carboxylate Traditional Name: 3-[1-[but-3-enyl(carbobenzoxy)amino]-2-ethyl-allyl]indole-1-carboxylic acid tert-butyl ester Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)N(CCC=C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(=C)C(C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)N(CCC=C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O4/c1-7-9-19-31(28(33)35-21-23-15-11-10-12-16-23)27(22(3)8-2)25-20-32(29(34)36-30(4,5)6)26-18-14-13-17-24(25)26/h7,10-18,20,27H,1,3,8-9,19,21H2,2,4-6H3