2-indol-1-yl-2-[3-(phenothiazin-10-ylmethyl)phenyl]carbonyl-butanoic acid

Systemtic Name: 2-indol-1-yl-2-[3-(phenothiazin-10-ylmethyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-indol-1-yl-2-[3-(phenothiazin-10-ylmethyl)benzoyl]butanoic acid CAS Name: 2-(1-indolyl)-2-[oxo-[3-(10-phenothiazinylmethyl)phenyl]methyl]butanoic acid IUPAC Name: 2-indol-1-yl-2-[3-(phenothiazin-10-ylmethyl)benzoyl]butanoic acid Traditional Name: 2-indol-1-yl-2-[3-(phenothiazin-10-ylmethyl)benzoyl]butyric acid Formula: C32H26N2O3S MolecularWeight: 518.62544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=CC=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)(C(=O)O)N5C=CC6=CC=CC=C65

Isomeric SMILES

CCC(C(=O)C1=CC(=CC=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)(C(=O)O)N5C=CC6=CC=CC=C65

InChI

InChI=1S/C32H26N2O3S/c1-2-32(31(36)37,34-19-18-23-11-3-4-13-25(23)34)30(35)24-12-9-10-22(20-24)21-33-26-14-5-7-16-28(26)38-29-17-8-6-15-27(29)33/h3-20H,2,21H2,1H3,(H,36,37)