2-(dicyclohexylamino)ethyl 2-(9H-xanthen-9-yl)ethanoate hydrochloride

Systemtic Name: 2-(dicyclohexylamino)ethyl 2-(9H-xanthen-9-yl)ethanoate hydrochloride Openeye Name: 2-(dicyclohexylamino)ethyl 2-(9H-xanthen-9-yl)acetate hydrochloride CAS Name: 2-(9H-xanthen-9-yl)acetic acid 2-(dicyclohexylamino)ethyl ester hydrochloride IUPAC Name: 2-(dicyclohexylamino)ethyl 2-(9H-xanthen-9-yl)acetate hydrochloride Traditional Name: 2-(9H-xanthen-9-yl)acetic acid 2-(dicyclohexylamino)ethyl ester hydrochloride Formula: C29H38ClNO3 MolecularWeight: 484.06992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCOC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C5CCCCC5.Cl

Isomeric SMILES

C1CCC(CC1)N(CCOC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C5CCCCC5.Cl

InChI

InChI=1S/C29H37NO3.ClH/c31-29(21-26-24-15-7-9-17-27(24)33-28-18-10-8-16-25(26)28)32-20-19-30(22-11-3-1-4-12-22)23-13-5-2-6-14-23;/h7-10,15-18,22-23,26H,1-6,11-14,19-21H2;1H