4-[[3-chloranyl-5-(cyclopentyloxycarbonylamino)-2-(naphthalen-2-ylsulfanylmethyl)indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-chloranyl-5-(cyclopentyloxycarbonylamino)-2-(naphthalen-2-ylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-chloro-5-(cyclopentoxycarbonylamino)-2-(2-naphthylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-5-[[cyclopentyloxy(oxo)methyl]amino]-2-[(2-naphthalenylthio)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-5-(cyclopentyloxycarbonylamino)-2-(naphthalen-2-ylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-chloro-5-(cyclopentoxycarbonylamino)-2-[(2-naphthylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C33H29ClN2O4S MolecularWeight: 585.11236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSC4=CC5=CC=CC=C5C=C4)CC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1CCC(C1)OC(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSC4=CC5=CC=CC=C5C=C4)CC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C33H29ClN2O4S/c34-31-28-18-25(35-33(39)40-26-7-3-4-8-26)14-16-29(28)36(19-21-9-11-23(12-10-21)32(37)38)30(31)20-41-27-15-13-22-5-1-2-6-24(22)17-27/h1-2,5-6,9-18,26H,3-4,7-8,19-20H2,(H,35,39)(H,37,38)