3-phenyl-1-[4-[(4-propan-2-ylphenyl)carbonylamino]butyl]indole-6-carboxylic acid

Systemtic Name: 3-phenyl-1-[4-[(4-propan-2-ylphenyl)carbonylamino]butyl]indole-6-carboxylic acid Openeye Name: 1-[4-[(4-isopropylbenzoyl)amino]butyl]-3-phenyl-indole-6-carboxylic acid CAS Name: 1-[4-[[oxo-(4-propan-2-ylphenyl)methyl]amino]butyl]-3-phenyl-6-indolecarboxylic acid IUPAC Name: 3-phenyl-1-[4-[(4-propan-2-ylbenzoyl)amino]butyl]indole-6-carboxylic acid Traditional Name: 1-[4-(cumoylamino)butyl]-3-phenyl-indole-6-carboxylic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NCCCCN2C=C(C3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NCCCCN2C=C(C3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c1-20(2)21-10-12-23(13-11-21)28(32)30-16-6-7-17-31-19-26(22-8-4-3-5-9-22)25-15-14-24(29(33)34)18-27(25)31/h3-5,8-15,18-20H,6-7,16-17H2,1-2H3,(H,30,32)(H,33,34)