3-azanyl-2-(3,5-dimethylphenyl)-1-ethyl-6-phenylmethoxycarbonyl-4-(4-pyridin-4-ylbutyl)indole-5-carboxylic acid

Systemtic Name: 3-azanyl-2-(3,5-dimethylphenyl)-1-ethyl-6-phenylmethoxycarbonyl-4-(4-pyridin-4-ylbutyl)indole-5-carboxylic acid Openeye Name: 3-amino-6-benzyloxycarbonyl-2-(3,5-dimethylphenyl)-1-ethyl-4-[4-(4-pyridyl)butyl]indole-5-carboxylic acid CAS Name: 3-amino-2-(3,5-dimethylphenyl)-1-ethyl-6-phenylmethoxycarbonyl-4-(4-pyridin-4-ylbutyl)-5-indolecarboxylic acid IUPAC Name: 3-amino-2-(3,5-dimethylphenyl)-1-ethyl-6-phenylmethoxycarbonyl-4-(4-pyridin-4-ylbutyl)indole-5-carboxylic acid Traditional Name: 3-amino-6-carbobenzoxy-2-(3,5-dimethylphenyl)-1-ethyl-4-[4-(4-pyridyl)butyl]indole-5-carboxylic acid Formula: C36H37N3O4 MolecularWeight: 575.69668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C(=C2)C(=O)OCC3=CC=CC=C3)C(=O)O)CCCCC4=CC=NC=C4)C(=C1C5=CC(=CC(=C5)C)C)N

Isomeric SMILES

CCN1C2=C(C(=C(C(=C2)C(=O)OCC3=CC=CC=C3)C(=O)O)CCCCC4=CC=NC=C4)C(=C1C5=CC(=CC(=C5)C)C)N

InChI

InChI=1S/C36H37N3O4/c1-4-39-30-21-29(36(42)43-22-26-11-6-5-7-12-26)31(35(40)41)28(13-9-8-10-25-14-16-38-17-15-25)32(30)33(37)34(39)27-19-23(2)18-24(3)20-27/h5-7,11-12,14-21H,4,8-10,13,22,37H2,1-3H3,(H,40,41)