methyl 3-[bis(phenylmethyl)amino]-5-(2-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-8-carboxylate

Systemtic Name: methyl 3-[bis(phenylmethyl)amino]-5-(2-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-8-carboxylate Openeye Name: methyl 3-(dibenzylamino)-5-(2-methylpiperazin-1-yl)chromane-8-carboxylate CAS Name: 3-[bis(phenylmethyl)amino]-5-(2-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(dibenzylamino)-5-(2-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-8-carboxylate Traditional Name: 3-(dibenzylamino)-5-(2-methylpiperazino)chroman-8-carboxylic acid methyl ester Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C2=C3CC(COC3=C(C=C2)C(=O)OC)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1CNCCN1C2=C3CC(COC3=C(C=C2)C(=O)OC)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O3/c1-22-18-31-15-16-33(22)28-14-13-26(30(34)35-2)29-27(28)17-25(21-36-29)32(19-23-9-5-3-6-10-23)20-24-11-7-4-8-12-24/h3-14,22,25,31H,15-21H2,1-2H3