2-[[6-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-6-oxidanylidene-hexyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[6-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-6-oxidanylidene-hexyl]carbamoyl]benzoic acid Openeye Name: 2-[[6-[2-(5-benzyloxy-2-methyl-1H-indol-3-yl)ethylamino]-6-oxo-hexyl]carbamoyl]benzoic acid CAS Name: 2-[[[6-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-6-oxohexyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[6-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-6-oxohexyl]carbamoyl]benzoic acid Traditional Name: 2-[[6-[2-(5-benzoxy-2-methyl-1H-indol-3-yl)ethylamino]-6-keto-hexyl]carbamoyl]benzoic acid Formula: C32H35N3O5 MolecularWeight: 541.6374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)CCNC(=O)CCCCCNC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)CCNC(=O)CCCCCNC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C32H35N3O5/c1-22-25(28-20-24(15-16-29(28)35-22)40-21-23-10-4-2-5-11-23)17-19-33-30(36)14-6-3-9-18-34-31(37)26-12-7-8-13-27(26)32(38)39/h2,4-5,7-8,10-13,15-16,20,35H,3,6,9,14,17-19,21H2,1H3,(H,33,36)(H,34,37)(H,38,39)