2-[(4-methoxyphenoxy)carbonyl-[[4-(2-phenothiazin-10-ylethoxy)phenyl]methyl]amino]butanoic acid

Systemtic Name: 2-[(4-methoxyphenoxy)carbonyl-[[4-(2-phenothiazin-10-ylethoxy)phenyl]methyl]amino]butanoic acid Openeye Name: 2-[(4-methoxyphenoxy)carbonyl-[[4-(2-phenothiazin-10-ylethoxy)phenyl]methyl]amino]butanoic acid CAS Name: 2-[[(4-methoxyphenoxy)-oxomethyl]-[[4-[2-(10-phenothiazinyl)ethoxy]phenyl]methyl]amino]butanoic acid IUPAC Name: 2-[(4-methoxyphenoxy)carbonyl-[[4-(2-phenothiazin-10-ylethoxy)phenyl]methyl]amino]butanoic acid Traditional Name: 2-[(4-methoxyphenoxy)carbonyl-[4-(2-phenothiazin-10-ylethoxy)benzyl]amino]butyric acid Formula: C33H32N2O6S MolecularWeight: 584.68198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)OC5=CC=C(C=C5)OC

Isomeric SMILES

CCC(C(=O)O)N(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)OC5=CC=C(C=C5)OC

InChI

InChI=1S/C33H32N2O6S/c1-3-27(32(36)37)35(33(38)41-26-18-16-24(39-2)17-19-26)22-23-12-14-25(15-13-23)40-21-20-34-28-8-4-6-10-30(28)42-31-11-7-5-9-29(31)34/h4-19,27H,3,20-22H2,1-2H3,(H,36,37)