4-chloranylbenzoic acid; 1-[(6-methyl-1H-indol-4-yl)oxy]-3-(2-phenoxypropylamino)propan-2-ol

Systemtic Name: 4-chloranylbenzoic acid; 1-[(6-methyl-1H-indol-4-yl)oxy]-3-(2-phenoxypropylamino)propan-2-ol Openeye Name: 4-chlorobenzoic acid; 1-[(6-methyl-1H-indol-4-yl)oxy]-3-(2-phenoxypropylamino)propan-2-ol CAS Name: 4-chlorobenzoic acid; 1-[(6-methyl-1H-indol-4-yl)oxy]-3-(2-phenoxypropylamino)-2-propanol IUPAC Name: 4-chlorobenzoic acid; 1-[(6-methyl-1H-indol-4-yl)oxy]-3-(2-phenoxypropylamino)propan-2-ol Traditional Name: 4-chlorobenzoic acid; 1-[(6-methyl-1H-indol-4-yl)oxy]-3-(2-phenoxypropylamino)propan-2-ol Formula: C28H31ClN2O5 MolecularWeight: 511.00914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CN2)C(=C1)OCC(CNCC(C)OC3=CC=CC=C3)O.C1=CC(=CC=C1C(=O)O)Cl

Isomeric SMILES

CC1=CC2=C(C=CN2)C(=C1)OCC(CNCC(C)OC3=CC=CC=C3)O.C1=CC(=CC=C1C(=O)O)Cl

InChI

InChI=1S/C21H26N2O3.C7H5ClO2/c1-15-10-20-19(8-9-23-20)21(11-15)25-14-17(24)13-22-12-16(2)26-18-6-4-3-5-7-18;8-6-3-1-5(2-4-6)7(9)10/h3-11,16-17,22-24H,12-14H2,1-2H3;1-4H,(H,9,10)