1-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-4-(1H-indol-6-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-4-(1H-indol-6-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1H-indol-6-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(sec-butylamino)ethyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[2-(butan-2-ylamino)-2-oxoethyl]-4-(1H-indol-6-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(butan-2-ylamino)-2-oxoethyl]-4-(1H-indol-6-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1H-indol-6-yl)-1-[2-keto-2-(sec-butylamino)ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)C=CN4

Isomeric SMILES

CCC(C)NC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)C=CN4

InChI

InChI=1S/C26H31N3O4/c1-4-16(2)28-23(30)15-29-14-21(19-6-5-17-11-12-27-22(17)13-19)24(26(31)32)25(29)18-7-9-20(33-3)10-8-18/h5-13,16,21,24-25,27H,4,14-15H2,1-3H3,(H,28,30)(H,31,32)