3-[2-dimethylaminoethyl-(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 3-[2-dimethylaminoethyl-(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 3-[benzyl(2-dimethylaminoethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 3-[[2-dimethylaminoethyl-(phenylmethyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 3-[benzyl(2-dimethylaminoethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 3-[benzyl(2-dimethylaminoethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C(=O)C2CC3=CC=CC=C3CN2C(=O)O

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C(=O)C2CC3=CC=CC=C3CN2C(=O)O

InChI

InChI=1S/C22H27N3O3/c1-23(2)12-13-24(15-17-8-4-3-5-9-17)21(26)20-14-18-10-6-7-11-19(18)16-25(20)22(27)28/h3-11,20H,12-16H2,1-2H3,(H,27,28)