4-[3-[3-(phenothiazin-10-ylmethyl)phenyl]carbonylindol-1-yl]butanoic acid

Systemtic Name: 4-[3-[3-(phenothiazin-10-ylmethyl)phenyl]carbonylindol-1-yl]butanoic acid Openeye Name: 4-[3-[3-(phenothiazin-10-ylmethyl)benzoyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[oxo-[3-(10-phenothiazinylmethyl)phenyl]methyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[3-(phenothiazin-10-ylmethyl)benzoyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[3-(phenothiazin-10-ylmethyl)benzoyl]indol-1-yl]butyric acid Formula: C32H26N2O3S MolecularWeight: 518.62544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCC(=O)O)C(=O)C3=CC(=CC=C3)CN4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCC(=O)O)C(=O)C3=CC(=CC=C3)CN4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C32H26N2O3S/c35-31(36)17-8-18-33-21-25(24-11-1-2-12-26(24)33)32(37)23-10-7-9-22(19-23)20-34-27-13-3-5-15-29(27)38-30-16-6-4-14-28(30)34/h1-7,9-16,19,21H,8,17-18,20H2,(H,35,36)