4-azanyl-1-ethoxycarbonyl-5-(3-phenylpropyl)-3-propanoyl-indole-2-carboxylic acid

Systemtic Name: 4-azanyl-1-ethoxycarbonyl-5-(3-phenylpropyl)-3-propanoyl-indole-2-carboxylic acid Openeye Name: 4-amino-1-ethoxycarbonyl-5-(3-phenylpropyl)-3-propanoyl-indole-2-carboxylic acid CAS Name: 4-amino-1-ethoxycarbonyl-3-(1-oxopropyl)-5-(3-phenylpropyl)-2-indolecarboxylic acid IUPAC Name: 4-amino-1-ethoxycarbonyl-5-(3-phenylpropyl)-3-propanoylindole-2-carboxylic acid Traditional Name: 4-amino-1-carbethoxy-5-(3-phenylpropyl)-3-propionyl-indole-2-carboxylic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(C2=C1C(=C(C=C2)CCCC3=CC=CC=C3)N)C(=O)OCC)C(=O)O

Isomeric SMILES

CCC(=O)C1=C(N(C2=C1C(=C(C=C2)CCCC3=CC=CC=C3)N)C(=O)OCC)C(=O)O

InChI

InChI=1S/C24H26N2O5/c1-3-18(27)20-19-17(26(22(20)23(28)29)24(30)31-4-2)14-13-16(21(19)25)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12,25H2,1-2H3,(H,28,29)