indol-1-ylmethyl 3-methoxy-2-methyl-6-[2-methyl-3-oxidanylidene-3-(propylamino)propyl]-4-propyl-benzoate

Systemtic Name: indol-1-ylmethyl 3-methoxy-2-methyl-6-[2-methyl-3-oxidanylidene-3-(propylamino)propyl]-4-propyl-benzoate Openeye Name: indol-1-ylmethyl 3-methoxy-2-methyl-6-[2-methyl-3-oxo-3-(propylamino)propyl]-4-propyl-benzoate CAS Name: 3-methoxy-2-methyl-6-[2-methyl-3-oxo-3-(propylamino)propyl]-4-propylbenzoic acid 1-indolylmethyl ester IUPAC Name: indol-1-ylmethyl 3-methoxy-2-methyl-6-[2-methyl-3-oxo-3-(propylamino)propyl]-4-propylbenzoate Traditional Name: 6-[3-keto-2-methyl-3-(propylamino)propyl]-3-methoxy-2-methyl-4-propyl-benzoic acid indol-1-ylmethyl ester Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1)CC(C)C(=O)NCCC)C(=O)OCN2C=CC3=CC=CC=C32)C)OC

Isomeric SMILES

CCCC1=C(C(=C(C(=C1)CC(C)C(=O)NCCC)C(=O)OCN2C=CC3=CC=CC=C32)C)OC

InChI

InChI=1S/C28H36N2O4/c1-6-10-22-17-23(16-19(3)27(31)29-14-7-2)25(20(4)26(22)33-5)28(32)34-18-30-15-13-21-11-8-9-12-24(21)30/h8-9,11-13,15,17,19H,6-7,10,14,16,18H2,1-5H3,(H,29,31)