3-[4-azanylbutyl-(2-ethoxycarbonyl-4-phenyl-butyl)carbamoyl]-2,3-dihydro-1H-indole-2-carboxylic acid

Systemtic Name: 3-[4-azanylbutyl-(2-ethoxycarbonyl-4-phenyl-butyl)carbamoyl]-2,3-dihydro-1H-indole-2-carboxylic acid Openeye Name: 3-[4-aminobutyl-(2-ethoxycarbonyl-4-phenyl-butyl)carbamoyl]indoline-2-carboxylic acid CAS Name: 3-[[4-aminobutyl-(2-ethoxycarbonyl-4-phenylbutyl)amino]-oxomethyl]-2,3-dihydro-1H-indole-2-carboxylic acid IUPAC Name: 3-[4-aminobutyl-(2-ethoxycarbonyl-4-phenylbutyl)carbamoyl]-2,3-dihydro-1H-indole-2-carboxylic acid Traditional Name: 3-[4-aminobutyl-(2-carbethoxy-4-phenyl-butyl)carbamoyl]indoline-2-carboxylic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)CN(CCCCN)C(=O)C2C(NC3=CC=CC=C23)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)CN(CCCCN)C(=O)C2C(NC3=CC=CC=C23)C(=O)O

InChI

InChI=1S/C27H35N3O5/c1-2-35-27(34)20(15-14-19-10-4-3-5-11-19)18-30(17-9-8-16-28)25(31)23-21-12-6-7-13-22(21)29-24(23)26(32)33/h3-7,10-13,20,23-24,29H,2,8-9,14-18,28H2,1H3,(H,32,33)