5-[2,6-bis(3-chlorophenyl)-4-(8-indol-1-yloctylcarbamoyl)phenoxy]pentanoic acid

Systemtic Name: 5-[2,6-bis(3-chlorophenyl)-4-(8-indol-1-yloctylcarbamoyl)phenoxy]pentanoic acid Openeye Name: 5-[2,6-bis(3-chlorophenyl)-4-(8-indol-1-yloctylcarbamoyl)phenoxy]pentanoic acid CAS Name: 5-[2,6-bis(3-chlorophenyl)-4-[[8-(1-indolyl)octylamino]-oxomethyl]phenoxy]pentanoic acid IUPAC Name: 5-[2,6-bis(3-chlorophenyl)-4-(8-indol-1-yloctylcarbamoyl)phenoxy]pentanoic acid Traditional Name: 5-[2,6-bis(3-chlorophenyl)-4-(8-indol-1-yloctylcarbamoyl)phenoxy]valeric acid Formula: C40H42Cl2N2O4 MolecularWeight: 685.67848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CCCCCCCCNC(=O)C3=CC(=C(C(=C3)C4=CC(=CC=C4)Cl)OCCCCC(=O)O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CCCCCCCCNC(=O)C3=CC(=C(C(=C3)C4=CC(=CC=C4)Cl)OCCCCC(=O)O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C40H42Cl2N2O4/c41-33-16-11-14-30(25-33)35-27-32(28-36(31-15-12-17-34(42)26-31)39(35)48-24-10-7-19-38(45)46)40(47)43-21-8-3-1-2-4-9-22-44-23-20-29-13-5-6-18-37(29)44/h5-6,11-18,20,23,25-28H,1-4,7-10,19,21-22,24H2,(H,43,47)(H,45,46)