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

Systemtic Name: 5-[2,6-bis(3-chlorophenyl)-4-(8-indol-1-yloctylcarbamoyl)phenyl]pentanoic acid Openeye Name: 5-[2,6-bis(3-chlorophenyl)-4-(8-indol-1-yloctylcarbamoyl)phenyl]pentanoic acid CAS Name: 5-[2,6-bis(3-chlorophenyl)-4-[[8-(1-indolyl)octylamino]-oxomethyl]phenyl]pentanoic acid IUPAC Name: 5-[2,6-bis(3-chlorophenyl)-4-(8-indol-1-yloctylcarbamoyl)phenyl]pentanoic acid Traditional Name: 5-[2,6-bis(3-chlorophenyl)-4-(8-indol-1-yloctylcarbamoyl)phenyl]valeric acid Formula: C40H42Cl2N2O3 MolecularWeight: 669.67908

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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)CCCCC(=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)CCCCC(=O)O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C40H42Cl2N2O3/c41-33-16-11-14-30(25-33)36-27-32(28-37(31-15-12-17-34(42)26-31)35(36)18-6-8-20-39(45)46)40(47)43-22-9-3-1-2-4-10-23-44-24-21-29-13-5-7-19-38(29)44/h5,7,11-17,19,21,24-28H,1-4,6,8-10,18,20,22-23H2,(H,43,47)(H,45,46)