benzoic acid; methyl 2-[5-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1H-indol-3-yl]ethanoate

Systemtic Name: benzoic acid; methyl 2-[5-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1H-indol-3-yl]ethanoate Openeye Name: benzoic acid; methyl 2-[5-[2-hydroxy-3-(isopropylamino)propoxy]-1H-indol-3-yl]acetate CAS Name: benzoic acid; 2-[5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-3-yl]acetic acid methyl ester IUPAC Name: benzoic acid; methyl 2-[5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-3-yl]acetate Traditional Name: benzoic acid; 2-[5-[2-hydroxy-3-(isopropylamino)propoxy]-1H-indol-3-yl]acetic acid methyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC2=C(C=C1)NC=C2CC(=O)OC)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC2=C(C=C1)NC=C2CC(=O)OC)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C17H24N2O4.C7H6O2/c1-11(2)18-9-13(20)10-23-14-4-5-16-15(7-14)12(8-19-16)6-17(21)22-3;8-7(9)6-4-2-1-3-5-6/h4-5,7-8,11,13,18-20H,6,9-10H2,1-3H3;1-5H,(H,8,9)