2-[(1,1-diethoxy-3-methyl-butan-2-yl)-(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-1-(phenylmethyl)indole-7-carboxylic acid

Systemtic Name: 2-[(1,1-diethoxy-3-methyl-butan-2-yl)-(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-1-(phenylmethyl)indole-7-carboxylic acid Openeye Name: 1-benzyl-2-[[1-(diethoxymethyl)-2-methyl-propyl]-(2-ethoxy-2-oxo-ethyl)carbamoyl]indole-7-carboxylic acid CAS Name: 2-[[(1,1-diethoxy-3-methylbutan-2-yl)-(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-1-(phenylmethyl)-7-indolecarboxylic acid IUPAC Name: 1-benzyl-2-[(1,1-diethoxy-3-methylbutan-2-yl)-(2-ethoxy-2-oxoethyl)carbamoyl]indole-7-carboxylic acid Traditional Name: 1-benzyl-2-[[1-(diethoxymethyl)-2-methyl-propyl]-(2-ethoxy-2-keto-ethyl)carbamoyl]indole-7-carboxylic acid Formula: C30H38N2O7 MolecularWeight: 538.63192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C(C)C)N(CC(=O)OCC)C(=O)C1=CC2=C(N1CC3=CC=CC=C3)C(=CC=C2)C(=O)O)OCC

Isomeric SMILES

CCOC(C(C(C)C)N(CC(=O)OCC)C(=O)C1=CC2=C(N1CC3=CC=CC=C3)C(=CC=C2)C(=O)O)OCC

InChI

InChI=1S/C30H38N2O7/c1-6-37-25(33)19-32(26(20(4)5)30(38-7-2)39-8-3)28(34)24-17-22-15-12-16-23(29(35)36)27(22)31(24)18-21-13-10-9-11-14-21/h9-17,20,26,30H,6-8,18-19H2,1-5H3,(H,35,36)